 Entering Gaussian System, Link 0=g16
 Input=12_L-valine_conformer06_STD_LCPBE_augccpVDZ.in
 Output=12_L-valine_conformer06_STD_LCPBE_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/Tuned_LCPBE/Gau-83696.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/Tuned_LCPBE/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     83698.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Aug-2021 
 ******************************************
 %NoSave
 %NProc=8
 Will use up to    8 processors via shared memory.
 %Mem=42GB
 %chk=12_L-valine_conformer06_STD_LCPBE_augccpVDZ
 ----------------------------------------------------------------------
 #P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tight) 
 Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=033700000
 0,3/108=0337000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131=-1
 )
 ----------------------------------------------------------------------
 1/29=2,33=1,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=1001009,75=-5,107=337000000,108=337000000,116=-2,119=1000000000,120=1000000000,130=-1,131=-1/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=200,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Mon Aug 16 21:19:54 2021, MaxMem=  5637144576 cpu:               1.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 ONIOM results not found on unit 2.
 -----------------
 ROA calculations.
 -----------------
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 Structure from the checkpoint file:  "12_L-valine_conformer06_STD_LCPBE_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 2.457159000000     -0.146332000000     -0.647837000000
  C                                                 1.109574000000     -0.543619000000     -0.050687000000
  C                                                -0.012989000000      0.384911000000     -0.578811000000
  C                                                -1.363704000000     -0.252903000000     -0.259735000000
  O                                                -2.091645000000      0.444358000000      0.645421000000
  C                                                 1.162885000000     -0.565114000000      1.477637000000
  N                                                 0.173654000000      1.758943000000     -0.144286000000
  O                                                -1.758233000000     -1.282971000000     -0.742079000000
  H                                                 0.050109000000      0.366136000000     -1.669549000000
  H                                                 0.854606000000     -1.547323000000     -0.399183000000
  H                                                -2.909790000000     -0.057734000000      0.787298000000
  H                                                -0.455006000000      2.381115000000     -0.636018000000
  H                                                -0.032228000000      1.857361000000      0.841913000000
  H                                                 1.451195000000      0.409891000000      1.876513000000
  H                                                 0.203705000000     -0.845376000000      1.918080000000
  H                                                 1.905982000000     -1.287391000000      1.818568000000
  H                                                 2.716265000000      0.875135000000     -0.368973000000
  H                                                 3.243945000000     -0.813424000000     -0.290625000000
  H                                                 2.437115000000     -0.203744000000     -1.738160000000
 Recover connectivity data from disk.
 After GenITR:
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          12          14          16           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  14.0030740  15.9949146   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           2           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   4.5500000   5.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   7.0000000   8.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 No MM parameters found.
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Mon Aug 16 21:19:54 2021, MaxMem=  5637144576 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.457159   -0.146332   -0.647837
      2          6           0        1.109574   -0.543619   -0.050687
      3          6           0       -0.012989    0.384911   -0.578811
      4          6           0       -1.363704   -0.252903   -0.259735
      5          8           0       -2.091645    0.444358    0.645421
      6          6           0        1.162885   -0.565114    1.477637
      7          7           0        0.173654    1.758943   -0.144286
      8          8           0       -1.758233   -1.282971   -0.742079
      9          1           0        0.050109    0.366136   -1.669549
     10          1           0        0.854606   -1.547323   -0.399183
     11          1           0       -2.909790   -0.057734    0.787298
     12          1           0       -0.455006    2.381115   -0.636018
     13          1           0       -0.032228    1.857361    0.841913
     14          1           0        1.451195    0.409891    1.876513
     15          1           0        0.203705   -0.845376    1.918080
     16          1           0        1.905982   -1.287391    1.818568
     17          1           0        2.716265    0.875135   -0.368973
     18          1           0        3.243945   -0.813424   -0.290625
     19          1           0        2.437115   -0.203744   -1.738160
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.526568   0.000000
     3  C    2.527571   1.549590   0.000000
     4  C    3.842001   2.499064   1.527432   0.000000
     5  O    4.765821   3.421764   2.413108   1.354761   0.000000
     6  C    2.523522   1.529405   2.552294   3.082140   3.507646
     7  N    3.016294   2.487267   1.453139   2.534625   2.735571
     8  O    4.366962   3.041214   2.419579   1.203889   2.240532
     9  H    2.664659   2.137951   1.092723   2.090371   3.154729
    10  H    2.143077   1.092648   2.125680   2.572133   3.706533
    11  H    5.556222   4.134440   3.233210   1.877432   0.970354
    12  H    3.856013   3.368173   2.045356   2.811649   2.841074
    13  H    3.525789   2.804488   2.046200   2.727576   2.505271
    14  H    2.773750   2.177151   2.858859   3.595345   3.750799
    15  H    3.485778   2.188081   2.791958   2.747849   2.924330
    16  H    2.772898   2.163695   3.496637   4.010032   4.511790
    17  H    1.090090   2.166939   2.780859   4.234448   4.932602
    18  H    1.091625   2.164695   3.482338   4.641720   5.561180
    19  H    1.092017   2.173809   2.773737   4.078527   5.158601
                    6          7          8          9         10
     6  C    0.000000
     7  N    3.001742   0.000000
     8  O    3.738367   3.652778   0.000000
     9  H    3.465585   2.069203   2.617223   0.000000
    10  H    2.140613   3.385271   2.648469   2.433592   0.000000
    11  H    4.161813   3.698079   2.272946   3.869983   4.218683
    12  H    3.970563   1.011984   3.890395   2.320230   4.147746
    13  H    2.775036   1.012256   3.917883   2.921981   3.730773
    14  H    1.092181   2.745119   4.474733   3.813071   3.060294
    15  H    1.092045   3.322158   3.334237   3.789780   2.507212
    16  H    1.090922   4.016703   4.470280   4.283150   2.468071
    17  H    2.810209   2.701198   4.981743   3.009812   3.055322
    18  H    2.742119   4.008138   5.044410   3.673334   2.501866
    19  H    3.477873   3.393498   4.444981   2.455050   2.470303
                   11         12         13         14         15
    11  H    0.000000
    12  H    3.741628   0.000000
    13  H    3.457012   1.623989   0.000000
    14  H    4.519209   3.719158   2.316487   0.000000
    15  H    3.404835   4.167441   2.918662   1.770213   0.000000
    16  H    5.076144   5.005716   3.820992   1.758111   1.761541
    17  H    5.818909   3.520831   3.159941   2.618981   3.808376
    18  H    6.292967   4.899655   4.375962   3.067073   3.757986
    19  H    5.915120   4.032441   4.123419   3.796636   4.332194
                   16         17         18         19
    16  H    0.000000
    17  H    3.180945   0.000000
    18  H    2.542338   1.770824   0.000000
    19  H    3.755890   1.765383   1.765798   0.000000
 Stoichiometry    C5H11NO2
 Framework group  C1[X(C5H11NO2)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.57D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.457159   -0.146332   -0.647837
      2          6           0        1.109574   -0.543619   -0.050687
      3          6           0       -0.012989    0.384911   -0.578811
      4          6           0       -1.363704   -0.252903   -0.259735
      5          8           0       -2.091645    0.444358    0.645421
      6          6           0        1.162885   -0.565114    1.477637
      7          7           0        0.173654    1.758943   -0.144286
      8          8           0       -1.758233   -1.282971   -0.742079
      9          1           0        0.050109    0.366136   -1.669549
     10          1           0        0.854606   -1.547323   -0.399183
     11          1           0       -2.909790   -0.057734    0.787298
     12          1           0       -0.455006    2.381115   -0.636018
     13          1           0       -0.032228    1.857361    0.841913
     14          1           0        1.451195    0.409891    1.876513
     15          1           0        0.203705   -0.845376    1.918080
     16          1           0        1.905982   -1.287391    1.818568
     17          1           0        2.716265    0.875135   -0.368973
     18          1           0        3.243945   -0.813424   -0.290625
     19          1           0        2.437115   -0.203744   -1.738160
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.9902404           1.4258101           1.3186332
 Leave Link  202 at Mon Aug 16 21:19:54 2021, MaxMem=  5637144576 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     11     12     13     14     15     16     17     18
 Centers:      19
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      6
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      8
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  24 primitive shells out of 312 were deleted.
 There are   299 symmetry adapted cartesian basis functions of A   symmetry.
 There are   283 symmetry adapted basis functions of A   symmetry.
   283 basis functions,   508 primitive gaussians,   299 cartesian basis functions
    32 alpha electrons       32 beta electrons
       nuclear repulsion energy       407.7550570018 Hartrees.
 IExCor=11009 DFT=T Ex=LC-PBE+HF Corr=PBE ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.337000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 DFx  wShort=  0.000000 wLong=  0.337000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Mon Aug 16 21:19:55 2021, MaxMem=  5637144576 cpu:              11.3 elap:               1.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   283 RedAO= T EigKep=  6.91D-06  NBF=   283
 NBsUse=   283 1.00D-06 EigRej= -1.00D+00 NBFU=   283
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   299   299   299   299   299 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Mon Aug 16 21:19:56 2021, MaxMem=  5637144576 cpu:               2.5 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Mon Aug 16 21:19:56 2021, MaxMem=  5637144576 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "12_L-valine_conformer06_STD_LCPBE_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000   -0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Aug 16 21:19:56 2021, MaxMem=  5637144576 cpu:               2.1 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636960417 LenY=  5636870575
 Requested convergence on RMS density matrix=1.00D-08 within 200 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -401.228655605997    
 DIIS: error= 2.96D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -401.228655605997     IErMin= 1 ErrMin= 2.96D-03
 ErrMax= 2.96D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.07D-02 BMatP= 1.07D-02
 IDIUse=3 WtCom= 9.70D-01 WtEn= 2.96D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.426 Goal=   None    Shift=    0.000
 GapD=    0.426 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=1.02D-02 MaxDP=1.06D+00              OVMax= 1.65D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.00D-02    CP:  1.06D+00
 E= -401.238106743232     Delta-E=       -0.009451137235 Rises=F Damp=F
 DIIS: error= 1.37D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -401.238106743232     IErMin= 2 ErrMin= 1.37D-03
 ErrMax= 1.37D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.40D-03 BMatP= 1.07D-02
 IDIUse=3 WtCom= 9.86D-01 WtEn= 1.37D-02
 Coeff-Com:  0.134D+00 0.866D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.132D+00 0.868D+00
 Gap=     0.378 Goal=   None    Shift=    0.000
 RMSDP=1.67D-03 MaxDP=1.66D-01 DE=-9.45D-03 OVMax= 1.14D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  8.77D-04    CP:  1.07D+00  1.14D+00
 E= -401.238537873766     Delta-E=       -0.000431130534 Rises=F Damp=F
 DIIS: error= 1.26D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -401.238537873766     IErMin= 3 ErrMin= 1.26D-03
 ErrMax= 1.26D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.06D-03 BMatP= 1.40D-03
 IDIUse=3 WtCom= 9.87D-01 WtEn= 1.26D-02
 Coeff-Com: -0.405D-01 0.470D+00 0.570D+00
 Coeff-En:   0.000D+00 0.369D+00 0.631D+00
 Coeff:     -0.400D-01 0.469D+00 0.571D+00
 Gap=     0.377 Goal=   None    Shift=    0.000
 RMSDP=5.45D-04 MaxDP=4.71D-02 DE=-4.31D-04 OVMax= 5.44D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.51D-04    CP:  1.08D+00  1.18D+00  1.17D+00
 E= -401.239281637011     Delta-E=       -0.000743763245 Rises=F Damp=F
 DIIS: error= 1.59D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -401.239281637011     IErMin= 4 ErrMin= 1.59D-04
 ErrMax= 1.59D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.07D-05 BMatP= 1.06D-03
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.59D-03
 Coeff-Com: -0.169D-01 0.114D+00 0.184D+00 0.718D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.169D-01 0.114D+00 0.184D+00 0.719D+00
 Gap=     0.377 Goal=   None    Shift=    0.000
 RMSDP=1.34D-04 MaxDP=9.40D-03 DE=-7.44D-04 OVMax= 1.25D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  5.47D-05    CP:  1.08D+00  1.19D+00  1.26D+00  1.10D+00
 E= -401.239296763317     Delta-E=       -0.000015126306 Rises=F Damp=F
 DIIS: error= 7.75D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -401.239296763317     IErMin= 5 ErrMin= 7.75D-05
 ErrMax= 7.75D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.46D-06 BMatP= 2.07D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.678D-03-0.497D-01-0.348D-01 0.388D+00 0.696D+00
 Coeff:      0.678D-03-0.497D-01-0.348D-01 0.388D+00 0.696D+00
 Gap=     0.377 Goal=   None    Shift=    0.000
 RMSDP=7.16D-05 MaxDP=4.74D-03 DE=-1.51D-05 OVMax= 7.02D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.80D-05    CP:  1.08D+00  1.20D+00  1.32D+00  1.20D+00  1.31D+00
 E= -401.239303210711     Delta-E=       -0.000006447393 Rises=F Damp=F
 DIIS: error= 1.43D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -401.239303210711     IErMin= 6 ErrMin= 1.43D-05
 ErrMax= 1.43D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.34D-07 BMatP= 7.46D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.168D-02-0.279D-01-0.287D-01 0.848D-01 0.256D+00 0.714D+00
 Coeff:      0.168D-02-0.279D-01-0.287D-01 0.848D-01 0.256D+00 0.714D+00
 Gap=     0.377 Goal=   None    Shift=    0.000
 RMSDP=1.50D-05 MaxDP=1.07D-03 DE=-6.45D-06 OVMax= 2.21D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  7.62D-06    CP:  1.08D+00  1.20D+00  1.32D+00  1.23D+00  1.41D+00
                    CP:  1.25D+00
 E= -401.239303590457     Delta-E=       -0.000000379747 Rises=F Damp=F
 DIIS: error= 4.16D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -401.239303590457     IErMin= 7 ErrMin= 4.16D-06
 ErrMax= 4.16D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.10D-08 BMatP= 3.34D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.282D-03 0.145D-03-0.179D-02-0.268D-01-0.236D-01 0.155D+00
 Coeff-Com:  0.897D+00
 Coeff:      0.282D-03 0.145D-03-0.179D-02-0.268D-01-0.236D-01 0.155D+00
 Coeff:      0.897D+00
 Gap=     0.377 Goal=   None    Shift=    0.000
 RMSDP=4.96D-06 MaxDP=3.13D-04 DE=-3.80D-07 OVMax= 1.25D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.33D-06    CP:  1.08D+00  1.20D+00  1.32D+00  1.23D+00  1.46D+00
                    CP:  1.33D+00  1.11D+00
 E= -401.239303635074     Delta-E=       -0.000000044617 Rises=F Damp=F
 DIIS: error= 1.34D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -401.239303635074     IErMin= 8 ErrMin= 1.34D-06
 ErrMax= 1.34D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.90D-09 BMatP= 2.10D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.112D-03 0.255D-02 0.231D-02-0.133D-01-0.277D-01-0.410D-01
 Coeff-Com:  0.156D+00 0.921D+00
 Coeff:     -0.112D-03 0.255D-02 0.231D-02-0.133D-01-0.277D-01-0.410D-01
 Coeff:      0.156D+00 0.921D+00
 Gap=     0.377 Goal=   None    Shift=    0.000
 RMSDP=1.46D-06 MaxDP=9.56D-05 DE=-4.46D-08 OVMax= 5.19D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  6.59D-07    CP:  1.08D+00  1.20D+00  1.32D+00  1.23D+00  1.47D+00
                    CP:  1.36D+00  1.17D+00  1.22D+00
 E= -401.239303640067     Delta-E=       -0.000000004993 Rises=F Damp=F
 DIIS: error= 5.38D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -401.239303640067     IErMin= 9 ErrMin= 5.38D-07
 ErrMax= 5.38D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.99D-10 BMatP= 1.90D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.512D-04 0.660D-03 0.784D-03-0.120D-02-0.480D-02-0.270D-01
 Coeff-Com: -0.457D-01 0.272D+00 0.806D+00
 Coeff:     -0.512D-04 0.660D-03 0.784D-03-0.120D-02-0.480D-02-0.270D-01
 Coeff:     -0.457D-01 0.272D+00 0.806D+00
 Gap=     0.377 Goal=   None    Shift=    0.000
 RMSDP=3.13D-07 MaxDP=2.33D-05 DE=-4.99D-09 OVMax= 1.68D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.92D-07    CP:  1.08D+00  1.20D+00  1.32D+00  1.23D+00  1.47D+00
                    CP:  1.35D+00  1.18D+00  1.30D+00  1.12D+00
 E= -401.239303640649     Delta-E=       -0.000000000582 Rises=F Damp=F
 DIIS: error= 1.64D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -401.239303640649     IErMin=10 ErrMin= 1.64D-07
 ErrMax= 1.64D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.65D-11 BMatP= 2.99D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.235D-05-0.217D-03-0.136D-03 0.176D-02 0.326D-02-0.992D-03
 Coeff-Com: -0.375D-01-0.651D-01 0.194D+00 0.905D+00
 Coeff:      0.235D-05-0.217D-03-0.136D-03 0.176D-02 0.326D-02-0.992D-03
 Coeff:     -0.375D-01-0.651D-01 0.194D+00 0.905D+00
 Gap=     0.377 Goal=   None    Shift=    0.000
 RMSDP=1.38D-07 MaxDP=1.22D-05 DE=-5.82D-10 OVMax= 7.93D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  8.62D-08    CP:  1.08D+00  1.20D+00  1.32D+00  1.23D+00  1.47D+00
                    CP:  1.35D+00  1.18D+00  1.31D+00  1.18D+00  1.17D+00
 E= -401.239303640759     Delta-E=       -0.000000000110 Rises=F Damp=F
 DIIS: error= 6.45D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -401.239303640759     IErMin=11 ErrMin= 6.45D-08
 ErrMax= 6.45D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.94D-12 BMatP= 3.65D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.601D-05-0.128D-03-0.122D-03 0.567D-03 0.136D-02 0.270D-02
 Coeff-Com: -0.501D-02-0.443D-01-0.401D-01 0.226D+00 0.859D+00
 Coeff:      0.601D-05-0.128D-03-0.122D-03 0.567D-03 0.136D-02 0.270D-02
 Coeff:     -0.501D-02-0.443D-01-0.401D-01 0.226D+00 0.859D+00
 Gap=     0.377 Goal=   None    Shift=    0.000
 RMSDP=5.11D-08 MaxDP=4.28D-06 DE=-1.10D-10 OVMax= 2.31D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  2.80D-08    CP:  1.08D+00  1.20D+00  1.32D+00  1.23D+00  1.47D+00
                    CP:  1.35D+00  1.18D+00  1.31D+00  1.19D+00  1.24D+00
                    CP:  1.18D+00
 E= -401.239303640774     Delta-E=       -0.000000000015 Rises=F Damp=F
 DIIS: error= 2.06D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -401.239303640774     IErMin=12 ErrMin= 2.06D-08
 ErrMax= 2.06D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.63D-13 BMatP= 3.94D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.157D-05-0.103D-04-0.193D-04-0.454D-04 0.509D-05 0.805D-03
 Coeff-Com:  0.265D-02-0.347D-02-0.328D-01-0.438D-01 0.196D+00 0.881D+00
 Coeff:      0.157D-05-0.103D-04-0.193D-04-0.454D-04 0.509D-05 0.805D-03
 Coeff:      0.265D-02-0.347D-02-0.328D-01-0.438D-01 0.196D+00 0.881D+00
 Gap=     0.377 Goal=   None    Shift=    0.000
 RMSDP=1.58D-08 MaxDP=6.48D-07 DE=-1.50D-11 OVMax= 8.12D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.15D-08    CP:  1.08D+00  1.20D+00  1.32D+00  1.23D+00  1.47D+00
                    CP:  1.35D+00  1.18D+00  1.31D+00  1.19D+00  1.27D+00
                    CP:  1.24D+00  1.08D+00
 E= -401.239303640773     Delta-E=        0.000000000001 Rises=F Damp=F
 DIIS: error= 9.80D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -401.239303640774     IErMin=13 ErrMin= 9.80D-09
 ErrMax= 9.80D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.22D-14 BMatP= 4.63D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.532D-06 0.160D-04 0.127D-04-0.928D-04-0.191D-03-0.178D-03
 Coeff-Com:  0.136D-02 0.565D-02-0.304D-02-0.406D-01-0.768D-01 0.228D+00
 Coeff-Com:  0.886D+00
 Coeff:     -0.532D-06 0.160D-04 0.127D-04-0.928D-04-0.191D-03-0.178D-03
 Coeff:      0.136D-02 0.565D-02-0.304D-02-0.406D-01-0.768D-01 0.228D+00
 Coeff:      0.886D+00
 Gap=     0.377 Goal=   None    Shift=    0.000
 RMSDP=8.80D-09 MaxDP=1.15D-06 DE= 1.36D-12 OVMax= 2.97D-07

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  4.00D-09    CP:  1.08D+00  1.20D+00  1.32D+00  1.23D+00  1.47D+00
                    CP:  1.35D+00  1.18D+00  1.31D+00  1.18D+00  1.26D+00
                    CP:  1.27D+00  1.18D+00  1.04D+00
 E= -401.239303640769     Delta-E=        0.000000000004 Rises=F Damp=F
 DIIS: error= 4.63D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=12 EnMin= -401.239303640774     IErMin=14 ErrMin= 4.63D-09
 ErrMax= 4.63D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.76D-15 BMatP= 7.22D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.171D-06 0.107D-05 0.207D-05 0.505D-05-0.175D-05-0.801D-04
 Coeff-Com: -0.286D-03 0.327D-03 0.325D-02 0.560D-02-0.230D-01-0.979D-01
 Coeff-Com:  0.116D-01 0.110D+01
 Coeff:     -0.171D-06 0.107D-05 0.207D-05 0.505D-05-0.175D-05-0.801D-04
 Coeff:     -0.286D-03 0.327D-03 0.325D-02 0.560D-02-0.230D-01-0.979D-01
 Coeff:      0.116D-01 0.110D+01
 Gap=     0.377 Goal=   None    Shift=    0.000
 RMSDP=2.09D-09 MaxDP=8.76D-08 DE= 3.87D-12 OVMax= 1.34D-07

 SCF Done:  E(RLC-PBE+HF-PBE) =  -401.239303641     A.U. after   14 cycles
            NFock= 14  Conv=0.21D-08     -V/T= 2.0053
 KE= 3.991115458236D+02 PE=-1.753820521991D+03 EE= 5.457146155243D+02
 Leave Link  502 at Mon Aug 16 21:21:55 2021, MaxMem=  5637144576 cpu:             945.6 elap:             118.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   283
 NBasis=   283 NAE=    32 NBE=    32 NFC=     0 NFV=     0
 NROrb=    283 NOA=    32 NOB=    32 NVA=   251 NVB=   251

 **** Warning!!: The largest alpha MO coefficient is  0.68097671D+02

 Leave Link  801 at Mon Aug 16 21:21:55 2021, MaxMem=  5637144576 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5894 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.34D-13 8.33D-09 XBig12= 1.00D+00 1.41D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.34D-13 8.33D-09 XBig12= 1.77D-01 4.73D-02.
     11 vectors produced by pass  2 Test12= 1.34D-13 8.33D-09 XBig12= 2.12D-02 2.26D-02.
     11 vectors produced by pass  3 Test12= 1.34D-13 8.33D-09 XBig12= 1.97D-03 9.32D-03.
     11 vectors produced by pass  4 Test12= 1.34D-13 8.33D-09 XBig12= 1.35D-04 1.79D-03.
     11 vectors produced by pass  5 Test12= 1.34D-13 8.33D-09 XBig12= 4.39D-06 3.20D-04.
     11 vectors produced by pass  6 Test12= 1.34D-13 8.33D-09 XBig12= 1.42D-07 4.88D-05.
     11 vectors produced by pass  7 Test12= 1.34D-13 8.33D-09 XBig12= 3.52D-09 6.11D-06.
     11 vectors produced by pass  8 Test12= 1.34D-13 8.33D-09 XBig12= 8.32D-11 7.79D-07.
      9 vectors produced by pass  9 Test12= 1.34D-13 8.33D-09 XBig12= 1.41D-12 1.19D-07.
      3 vectors produced by pass 10 Test12= 1.34D-13 8.33D-09 XBig12= 2.29D-14 1.49D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.13D-14
 Solved reduced A of dimension   111 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.882454D+02
      2  0.104413D+01  0.773019D+02
      3 -0.236981D+01  0.197864D+01  0.746396D+02
 Isotropic polarizability for W=    0.088559       80.06 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.704931D+02 -0.188967D+02  0.445258D+01
      2  -0.386612D+02  0.216474D+02 -0.113317D+02
      3  -0.318319D+02 -0.275067D+01  0.687912D+01
      4  -0.206219D+02  0.412915D+02 -0.192900D+02
      5   0.106408D+02 -0.222317D+02  0.644297D+02
      6  -0.549885D+01  0.521332D+00 -0.905897D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.677678D+00 -0.806223D+00  0.112155D+01
      2   0.585837D+01 -0.719064D+01  0.334411D+02
      3   0.560052D+01 -0.252251D+02  0.823924D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.294172D+01  0.118530D+02  0.630830D+01
      2  -0.618821D+01 -0.137911D+02  0.962616D+02
      3  -0.172525D+01 -0.799527D+02  0.167328D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.211132D+00 -0.554934D+00 -0.110764D+01
      2  -0.554934D+00  0.333003D+00 -0.153975D-01
      3  -0.110764D+01 -0.153975D-01  0.249048D+00
 OR G Eigenvalues:    -1.2394     0.3283     1.2821  Iso=    -0.1236
 Eigenvectors:
   (1)   0.769438   0.277183   0.575443
   (2)   0.020225   0.889905  -0.455698
   (3)  -0.638401   0.362270   0.679120
 w=    0.088559 a.u., Optical Rotation Beta=     -0.1236 au.
 Molar Mass =    117.1474 grams/mole, [Alpha] ( 5145.0 A) =      -53.52 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   40186 ScalPx= 9.78D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   40186 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 6.14D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.23D-14 2.78D-09 XBig12= 1.00D+00 3.41D-01.
     30 vectors produced by pass  1 Test12= 2.23D-14 2.78D-09 XBig12= 3.18D-02 2.35D-02.
     30 vectors produced by pass  2 Test12= 2.23D-14 2.78D-09 XBig12= 1.03D-03 3.68D-03.
     30 vectors produced by pass  3 Test12= 2.23D-14 2.78D-09 XBig12= 1.27D-05 4.99D-04.
     30 vectors produced by pass  4 Test12= 2.23D-14 2.78D-09 XBig12= 1.99D-07 4.86D-05.
     30 vectors produced by pass  5 Test12= 2.23D-14 2.78D-09 XBig12= 1.98D-09 4.69D-06.
     30 vectors produced by pass  6 Test12= 2.23D-14 2.78D-09 XBig12= 1.52D-11 3.65D-07.
     30 vectors produced by pass  7 Test12= 2.23D-14 2.78D-09 XBig12= 1.07D-13 2.88D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.89D-15
 Solved reduced A of dimension   240 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   40186 ScalPx= 8.68D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   40186 ScalPx= 8.68D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   40186 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 3.14D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.882454D+02  0.104413D+01 -0.236981D+01
      2   0.104413D+01  0.773019D+02  0.197864D+01
      3  -0.236981D+01  0.197864D+01  0.746396D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.677678D+00 -0.806223D+00  0.112155D+01
      2   0.585837D+01 -0.719064D+01  0.334411D+02
      3   0.560052D+01 -0.252251D+02  0.823924D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.704931D+02 -0.188967D+02  0.445258D+01
      2  -0.386612D+02  0.216474D+02 -0.113317D+02
      3  -0.318319D+02 -0.275067D+01  0.687912D+01
      4  -0.206219D+02  0.412915D+02 -0.192900D+02
      5   0.106408D+02 -0.222317D+02  0.644297D+02
      6  -0.549885D+01  0.521332D+00 -0.905897D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.258437D+00  0.278697D+01 -0.308072D+01  0.402689D+01 -0.341832D+01
      2   0.278697D+01 -0.286882D+01  0.152322D+00 -0.341832D+01 -0.305664D+01
      3  -0.308072D+01  0.152322D+00  0.544774D+00  0.585307D-01 -0.196717D+01
                 6             7             8             9            10 
      1   0.585307D-01 -0.396309D+01  0.385947D+00 -0.584338D+00  0.183413D+01
      2  -0.196717D+01  0.385947D+00 -0.193565D+01  0.213372D+00 -0.225077D+01
      3   0.488269D+00 -0.584338D+00  0.213372D+00  0.710890D+01  0.367444D+01
                11            12            13            14            15 
      1  -0.225077D+01  0.367444D+01 -0.561019D+01  0.269076D+01  0.145320D+00
      2   0.299622D+01  0.244962D+00  0.269076D+01  0.395029D+01  0.258446D+01
      3   0.244962D+00 -0.365200D+00  0.145320D+00  0.258446D+01  0.527168D+00
                16            17            18            19            20 
      1   0.509833D+01  0.157827D+00  0.215865D+00 -0.262751D+01  0.332782D+01
      2   0.157827D+00  0.258427D+01  0.110996D+01  0.332782D+01 -0.538683D+00
      3   0.215865D+00  0.110996D+01 -0.500693D+01 -0.209857D+01  0.843268D-01
                21            22            23            24            25 
      1  -0.209857D+01  0.583470D+01 -0.250114D+00  0.937405D-01 -0.193109D+01
      2   0.843268D-01 -0.250114D+00 -0.113427D+01 -0.107415D+01  0.208269D+00
      3  -0.490936D+00  0.937405D-01 -0.107415D+01  0.109285D+01 -0.804032D+00
                26            27            28            29            30 
      1   0.208269D+00 -0.804032D+00 -0.100949D+01 -0.152491D+01  0.107379D+01
      2  -0.120909D+01  0.110635D+00 -0.152491D+01  0.604214D+00  0.158726D+01
      3   0.110635D+00  0.594199D+01  0.107379D+01  0.158726D+01  0.538647D+00
                31            32            33            34            35 
      1   0.225993D+01  0.121331D+01  0.135377D+01  0.144587D+01  0.212249D+01
      2   0.121331D+01  0.288515D+01  0.172581D+01  0.212249D+01  0.207104D+01
      3   0.135377D+01  0.172581D+01  0.922110D+00  0.562705D+00  0.127818D+00
                36            37            38            39            40 
      1   0.562705D+00  0.420780D+01  0.306364D+01 -0.704535D+00  0.476952D+01
      2   0.127818D+00  0.306364D+01  0.240290D+00 -0.756722D+00 -0.862551D+00
      3  -0.633889D-01 -0.704535D+00 -0.756722D+00  0.646261D+00 -0.155487D+01
                41            42            43            44            45 
      1  -0.862551D+00 -0.155487D+01  0.159382D+00 -0.124431D+01 -0.745736D+00
      2   0.324620D+01  0.834668D+00 -0.124431D+01  0.383356D+00  0.132149D+01
      3   0.834668D+00  0.158457D+01 -0.745736D+00  0.132149D+01  0.284924D+01
                46            47            48            49            50 
      1   0.136311D+01  0.328576D+01 -0.416399D+01  0.352684D+01 -0.309857D+01
      2   0.328576D+01 -0.299206D+01  0.122187D+00 -0.309857D+01 -0.179386D+01
      3  -0.416399D+01  0.122187D+00  0.321857D+00  0.945760D-01 -0.348239D+01
                51            52            53            54            55 
      1   0.945760D-01 -0.352798D+01 -0.744259D-01  0.222472D+00  0.276020D+01
      2  -0.348239D+01 -0.744259D-01 -0.287516D+01 -0.589788D+00 -0.152720D+01
      3   0.139258D+00  0.222472D+00 -0.589788D+00  0.320243D+01  0.112049D+01
                56            57            58            59            60 
      1  -0.152720D+01  0.112049D+01 -0.102948D+01  0.293166D+01 -0.701339D+00
      2   0.378354D+01 -0.728562D+00  0.293166D+01  0.246058D+01  0.993594D+00
      3  -0.728562D+00  0.205218D+01 -0.701339D+00  0.993594D+00 -0.100256D+01
                61            62            63            64            65 
      1   0.135956D+01 -0.924332D+00  0.215519D+01 -0.325795D+01 -0.296880D+01
      2  -0.924332D+00  0.110719D+01 -0.575013D+00 -0.296880D+01 -0.240306D+01
      3   0.215519D+01 -0.575013D+00 -0.339515D+01 -0.179724D+01 -0.134888D+01
                66            67            68            69            70 
      1  -0.179724D+01 -0.558049D+01 -0.304784D+01 -0.957127D+00 -0.271231D+01
      2  -0.134888D+01 -0.304784D+01 -0.927759D+01 -0.279461D+01 -0.130077D+01
      3  -0.125004D+01 -0.957127D+00 -0.279461D+01 -0.277092D+01 -0.177272D+01
                71            72            73            74            75 
      1  -0.130077D+01 -0.177272D+01  0.559677D+00 -0.408428D+00 -0.871110D+00
      2  -0.248531D+01 -0.289725D+01 -0.408428D+00  0.206732D+00 -0.101568D+00
      3  -0.289725D+01 -0.380053D+01 -0.871110D+00 -0.101568D+00  0.263730D+00
                76            77            78            79            80 
      1  -0.106260D+01  0.149509D+00  0.427419D-02 -0.159317D+01 -0.103941D+00
      2   0.149509D+00  0.536224D+00 -0.104574D+01 -0.103941D+00 -0.144195D+01
      3   0.427419D-02 -0.104574D+01 -0.286271D-01  0.172168D+00  0.469030D+00
                81            82            83            84            85 
      1   0.172168D+00 -0.122883D+01 -0.749704D+00 -0.938485D+00 -0.119905D+01
      2   0.469030D+00 -0.749704D+00 -0.965251D+00 -0.178857D-01 -0.841089D+00
      3  -0.823624D+01 -0.938485D+00 -0.178857D-01 -0.275009D+00 -0.673055D-01
                86            87            88            89            90 
      1  -0.841089D+00 -0.673055D-01 -0.140247D+01 -0.946491D-01 -0.114733D+00
      2  -0.662340D+01 -0.155996D+01 -0.946491D-01 -0.162618D+01 -0.145890D+01
      3  -0.155996D+01 -0.182452D+01 -0.114733D+00 -0.145890D+01 -0.631187D+00
                91            92            93            94            95 
      1  -0.839777D+01 -0.910011D+00  0.242567D+01 -0.367248D+01 -0.137678D+01
      2  -0.910011D+00 -0.144999D+01  0.128641D+00 -0.137678D+01 -0.685631D+00
      3   0.242567D+01  0.128641D+00 -0.183178D+01  0.125518D+01  0.494490D+00
                96            97            98            99           100 
      1   0.125518D+01  0.157676D+01  0.271923D+00 -0.128277D+01 -0.176481D+01
      2   0.494490D+00  0.271923D+00  0.488894D+00 -0.903870D-01  0.232229D+01
      3  -0.877880D+00 -0.128277D+01 -0.903870D-01  0.124657D+01 -0.989509D+00
               101           102           103           104           105 
      1   0.232229D+01 -0.989509D+00  0.230242D+01 -0.256790D+01  0.887361D+00
      2  -0.319891D+01  0.110654D+01 -0.256790D+01  0.493858D+01 -0.139546D+01
      3   0.110654D+01 -0.109492D+01  0.887361D+00 -0.139546D+01  0.128801D+01
               106           107           108           109           110 
      1  -0.176466D+01  0.137968D+01 -0.114028D+01 -0.141235D+00  0.499852D+00
      2   0.137968D+01 -0.247294D+01  0.154825D+01  0.499852D+00 -0.218632D+00
      3  -0.114028D+01  0.154825D+01 -0.144771D+01  0.184433D+00 -0.340420D+00
               111           112           113           114           115 
      1   0.184433D+00  0.395562D+00 -0.148453D+00 -0.355012D+00  0.115292D+01
      2  -0.340420D+00 -0.148453D+00  0.107589D+01  0.848651D+00 -0.479918D+00
      3  -0.661864D+00 -0.355012D+00  0.848651D+00  0.845675D+00 -0.697330D+00
               116           117           118           119           120 
      1  -0.479918D+00 -0.697330D+00  0.934668D+00  0.615827D+00  0.110980D+01
      2   0.224795D+01  0.132534D+01  0.615827D+00  0.131351D+01  0.501434D+00
      3   0.132534D+01  0.516606D+01  0.110980D+01  0.501434D+00  0.101056D+01
               121           122           123           124           125 
      1   0.138536D+01  0.111599D+01  0.831680D+00  0.980385D+00  0.392032D+00
      2   0.111599D+01  0.454924D+01  0.208197D+01  0.392032D+00  0.173232D+01
      3   0.831680D+00  0.208197D+01  0.312733D+01  0.552565D+00  0.148416D+01
               126           127           128           129           130 
      1   0.552565D+00 -0.519968D+01 -0.127951D+01  0.222919D+01 -0.138285D+01
      2   0.148416D+01 -0.127951D+01 -0.115795D+01  0.927225D+00 -0.605783D+00
      3   0.201950D+01  0.222919D+01  0.927225D+00 -0.324054D+01  0.555199D+00
               131           132           133           134           135 
      1  -0.605783D+00  0.555199D+00  0.190318D+01  0.499033D+00 -0.176690D+01
      2  -0.951097D+00  0.122147D+01  0.499033D+00  0.987447D+00 -0.704303D+00
      3   0.122147D+01 -0.108795D+01 -0.176690D+01 -0.704303D+00  0.240566D+01
               136           137           138           139           140 
      1   0.382702D+01 -0.248887D+01  0.229987D+01 -0.283961D+01  0.248914D+01
      2  -0.248887D+01  0.257678D+01 -0.132322D+01  0.248914D+01 -0.341689D+01
      3   0.229987D+01 -0.132322D+01  0.229760D+01 -0.132848D+01  0.221909D+01
               141           142           143           144           145 
      1  -0.132848D+01  0.142369D+01 -0.866284D+00  0.143416D+01  0.145616D+01
      2   0.221909D+01 -0.866284D+00  0.150417D+01 -0.134569D+01  0.121792D+01
      3  -0.224683D+01  0.143416D+01 -0.134569D+01  0.180254D+01  0.433179D+00
               146           147           148           149           150 
      1   0.121792D+01  0.433179D+00  0.295851D+01  0.215334D+01 -0.145876D+00
      2   0.160443D+01  0.580888D-01  0.215334D+01  0.559832D+01  0.581312D+00
      3   0.580888D-01  0.325147D+00 -0.145876D+00  0.581312D+00  0.139946D+01
               151           152           153           154           155 
      1   0.128058D+01  0.315728D+00  0.484773D+00  0.665831D+01 -0.277499D+01
      2   0.315728D+00  0.114780D+01  0.786330D+00 -0.277499D+01  0.223406D+01
      3   0.484773D+00  0.786330D+00 -0.783528D-01  0.862963D+00 -0.335756D+00
               156           157           158           159           160 
      1   0.862963D+00 -0.456028D+01  0.283243D+01 -0.229378D+00  0.264458D+01
      2  -0.335756D+00  0.283243D+01 -0.242375D+01  0.602921D+00 -0.690460D+00
      3   0.107817D+01 -0.229378D+00  0.602921D+00 -0.117542D+01  0.110899D+01
               161           162           163           164           165 
      1  -0.690460D+00  0.110899D+01  0.284634D+00 -0.236879D+00 -0.769668D+00
      2   0.973306D+00 -0.718505D+00 -0.236879D+00  0.233584D+00  0.400271D-01
      3  -0.718505D+00  0.231545D+00 -0.769668D+00  0.400271D-01  0.131350D+00
               166           167           168           169           170 
      1  -0.522702D+00  0.641269D+00  0.597615D-01 -0.213047D+01  0.461592D-01
      2   0.641269D+00  0.122664D+00 -0.868956D+00  0.461592D-01 -0.118146D+01
      3   0.597615D-01 -0.868956D+00 -0.399992D+00  0.199996D+01 -0.116560D+00
               171 
      1   0.199996D+01
      2  -0.116560D+00
      3  -0.931496D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.264566D+01  0.231375D+01  0.159476D+00  0.324284D+01  0.214471D+01
      2  -0.885538D+01  0.285826D+01  0.334135D+00  0.378796D+01 -0.829709D+01
      3  -0.780789D+01  0.563365D+01  0.420361D+00  0.128622D+02  0.103762D+02
                 6             7             8             9            10 
      1  -0.565257D+00  0.659243D+00  0.317169D+01 -0.454761D+00  0.322425D+01
      2   0.109770D+01 -0.873786D+01  0.846626D+00  0.206274D+02  0.729007D+01
      3   0.467024D+01 -0.115208D+01  0.557580D+01 -0.117964D+01  0.299723D+01
                11            12            13            14            15 
      1  -0.409265D+00  0.158729D-01 -0.757677D+00  0.316080D+01 -0.411878D+01
      2  -0.748469D+00  0.414228D+01 -0.393010D+01  0.340969D+01  0.196645D+00
      3  -0.390822D+01 -0.118830D+01  0.159325D+01 -0.894850D+01 -0.399392D+01
                16            17            18            19            20 
      1  -0.369698D+00  0.222462D+01 -0.260291D+01 -0.384149D+01  0.170044D+00
      2  -0.225316D+01  0.117828D+01 -0.510413D+01 -0.975852D-01  0.719337D+00
      3  -0.705208D+00 -0.333453D+01 -0.222030D+00  0.226809D+00 -0.451258D+01
                21            22            23            24            25 
      1  -0.124195D+01 -0.108952D+01  0.836645D+00  0.229665D+01 -0.187004D+00
      2   0.565627D+00  0.645414D+01 -0.518046D+00  0.128132D+01 -0.628918D+01
      3   0.144756D+01  0.911312D+00  0.389949D+00  0.279786D+01 -0.927886D+00
                26            27            28            29            30 
      1   0.527463D+01 -0.172582D+01  0.850010D+00  0.464727D+00  0.203007D+01
      2  -0.375466D+00 -0.256980D+01 -0.905430D+01 -0.456464D+00 -0.278740D+01
      3   0.142687D+01  0.742440D-02 -0.580217D+01  0.170844D+01 -0.169979D+01
                31            32            33            34            35 
      1   0.219892D+01 -0.647610D+01  0.951029D+00 -0.224708D+01  0.211077D+01
      2   0.931010D+01 -0.756576D+00 -0.516181D+01 -0.110658D+02 -0.293462D+01
      3   0.445329D+01  0.975063D+01  0.151819D-01 -0.600485D+01 -0.228954D+01
                36            37            38            39            40 
      1   0.823372D+01  0.786419D+00  0.353227D-01  0.168319D+01  0.185234D+01
      2   0.389291D+01  0.133295D+01 -0.703052D-01  0.189031D+01 -0.978674D+00
      3   0.195932D+01  0.579765D+01 -0.129425D+01 -0.795263D+00  0.437810D+01
                41            42            43            44            45 
      1   0.267931D+01 -0.285755D+01  0.103315D+01  0.366154D+01 -0.175515D+01
      2  -0.343835D+01 -0.334666D+01 -0.121269D+01 -0.286584D+01 -0.745362D+01
      3   0.924627D+01  0.159358D+01  0.233103D+01  0.232559D+01  0.189774D+01
                46            47            48            49            50 
      1   0.342885D+01 -0.578316D+01  0.772911D+00 -0.583297D+01 -0.578743D+01
      2  -0.970767D+01 -0.651761D+01  0.122015D+02 -0.512105D+01  0.818442D+00
      3  -0.588685D+01 -0.317382D+00  0.246990D+01  0.379931D+01  0.482642D+01
                51            52            53            54            55 
      1  -0.106641D+02  0.315270D-01 -0.446063D+01  0.246830D+01 -0.172056D+01
      2  -0.365587D+00  0.542641D+01 -0.581015D+00  0.279038D+01  0.920455D+00
      3   0.447791D+01  0.235066D+01  0.368031D+01  0.471301D+00  0.696747D+01
                56            57            58            59            60 
      1   0.111348D+01 -0.578097D+01  0.114667D+01 -0.458608D+01 -0.343601D+01
      2   0.129357D+01  0.450697D+01 -0.132922D+01  0.989571D-01  0.184724D+00
      3  -0.103293D+02  0.151418D+01  0.341071D+01  0.707609D+01 -0.285395D+01
                61            62            63            64            65 
      1  -0.420523D+01  0.646791D+01  0.860262D+01  0.170289D+01  0.246936D+01
      2  -0.105497D+01  0.330387D+00 -0.507399D+00  0.726860D+00  0.519016D+00
      3   0.290339D+01 -0.200553D+01  0.534043D+01  0.131323D+01 -0.532081D+01
                66            67            68            69            70 
      1  -0.325836D+01  0.436939D+00  0.509428D+01 -0.735105D+01  0.915626D+00
      2   0.573048D+01 -0.841468D+01  0.249964D+01  0.620362D+01 -0.391200D+00
      3  -0.104817D+01  0.476202D+01 -0.156494D+02 -0.345756D+01  0.117053D+01
                71            72            73            74            75 
      1   0.356489D+01 -0.320064D+01  0.831459D+00 -0.285467D+00  0.186975D-01
      2   0.548457D+01  0.435445D+01  0.115962D+01 -0.298716D+00  0.127025D+00
      3  -0.221405D+01 -0.468095D+01  0.100118D+01 -0.431582D+00 -0.715213D+00
                76            77            78            79            80 
      1   0.233575D-01 -0.641412D+00 -0.246278D+00  0.749828D-01  0.349066D+01
      2  -0.889536D+00  0.445440D+00 -0.181092D-02 -0.398517D+01  0.627666D-01
      3   0.125975D+01  0.732691D-01 -0.514643D+00 -0.481742D+00 -0.438910D+00
                81            82            83            84            85 
      1   0.170809D+01 -0.134414D+01  0.168376D+00 -0.585796D+00 -0.150004D+00
      2   0.890191D+00 -0.201730D+01 -0.319135D+00 -0.661938D-02 -0.928616D+00
      3   0.295596D-01  0.326201D+01  0.104279D+01  0.100153D+01  0.536331D+01
                86            87            88            89            90 
      1   0.183367D+00 -0.363967D+01 -0.224760D+00  0.361083D+00 -0.523411D+00
      2  -0.173689D+01 -0.174191D+01 -0.227530D+01 -0.159099D+01 -0.699568D+00
      3   0.802193D+01  0.207953D+01  0.213719D+01  0.197755D+01  0.188712D+01
                91            92            93            94            95 
      1  -0.165662D+01 -0.146649D+01  0.262273D+00 -0.580931D+00 -0.105960D+01
      2  -0.100118D+01  0.487902D+00  0.447665D+01 -0.118614D+01 -0.422027D+00
      3  -0.423918D+01 -0.504728D+01  0.125677D+01 -0.248529D+01 -0.331483D+01
                96            97            98            99           100 
      1  -0.328148D+00  0.865745D+00  0.488853D+00 -0.465053D+00  0.130280D+01
      2   0.254300D+01  0.681031D+00  0.394940D+00 -0.174456D+01 -0.120866D+01
      3   0.744702D+00  0.179628D+01  0.152191D+01 -0.796638D+00 -0.546786D+01
               101           102           103           104           105 
      1  -0.173675D+01  0.336380D+01 -0.153627D+01  0.141857D+01 -0.340923D+01
      2   0.482583D+00  0.537270D+00  0.764239D+00 -0.516278D+00 -0.419027D+00
      3   0.402571D+01 -0.232568D+01  0.758899D+01 -0.570269D+01  0.268841D+01
               106           107           108           109           110 
      1   0.202208D+01 -0.136137D+01  0.242933D+01 -0.473744D+00  0.898551D+00
      2  -0.153214D+01  0.253799D+00 -0.190541D-01  0.750592D+00  0.128448D+00
      3  -0.465089D+01  0.329243D+01 -0.294475D+01 -0.531657D+00  0.838230D-01
               111           112           113           114           115 
      1   0.181679D+01  0.108855D+01 -0.212520D+01 -0.223651D+01  0.160876D+01
      2  -0.289271D+00  0.132371D+00 -0.103845D+00  0.370192D+00 -0.269969D+01
      3   0.566221D+00  0.104785D+01 -0.602242D+00 -0.101661D+01  0.323415D+01
               116           117           118           119           120 
      1  -0.120757D+01 -0.138865D+02  0.166639D+01  0.289371D+01  0.104396D+01
      2   0.372177D+00  0.833411D+00  0.155838D+00 -0.368484D+00  0.676589D+00
      3  -0.109662D+01 -0.221479D+01 -0.485526D+00 -0.274262D+01 -0.107686D+01
               121           122           123           124           125 
      1   0.207238D+01  0.122548D+02  0.315817D+01  0.128692D+01  0.559200D+01
      2  -0.256677D+01  0.985694D+00  0.334983D+01 -0.221579D+01  0.106735D+01
      3   0.162330D+00 -0.754129D+01 -0.261915D+01 -0.494145D+00 -0.231591D+01
               126           127           128           129           130 
      1   0.347447D+01 -0.555832D+00 -0.249418D+01 -0.144399D+01 -0.852402D+00
      2   0.156255D+01  0.154664D+02  0.327188D+01 -0.524949D+01  0.345937D+01
      3  -0.218211D+01  0.615387D+01  0.357378D+00 -0.220166D+01  0.291949D+01
               131           132           133           134           135 
      1  -0.537908D+00  0.349969D+00 -0.438694D+00  0.253185D+01  0.456573D+00
      2   0.232166D+01 -0.164341D+01 -0.751168D+01 -0.181951D+01  0.499734D+01
      3   0.948793D+00 -0.159344D+01 -0.206124D+01 -0.582028D+00  0.199870D+01
               136           137           138           139           140 
      1  -0.270465D+01  0.462051D+01  0.438499D+00  0.338044D+01 -0.461463D+01
      2  -0.402581D+01  0.248222D+01  0.153121D+01  0.409845D+01 -0.124965D+01
      3  -0.968815D-01 -0.330065D+01  0.424406D+00  0.535773D+00  0.341476D+01
               141           142           143           144           145 
      1   0.177719D+00 -0.782869D+00  0.290405D+01 -0.762097D+00 -0.100391D+01
      2  -0.163566D+01 -0.261985D+01  0.800273D-01  0.256619D+00  0.230586D+01
      3  -0.201481D+01 -0.513685D+00 -0.185549D+01  0.726343D+00 -0.386615D+01
               146           147           148           149           150 
      1  -0.138427D+01 -0.646930D+00 -0.135896D+01 -0.422007D+01 -0.273696D+01
      2   0.109774D+01  0.193198D+01  0.133159D+01  0.393971D+01  0.479971D+01
      3  -0.499271D+01 -0.974579D-01 -0.267868D+01 -0.181081D+02 -0.219876D+01
               151           152           153           154           155 
      1  -0.396105D+00  0.801874D-01 -0.825910D+00  0.212208D+01 -0.146477D+01
      2   0.613456D+00  0.230107D+01  0.510889D+00  0.703270D+01 -0.337939D+01
      3  -0.170407D+00 -0.384315D+01 -0.199987D+01  0.518478D+01 -0.805175D+01
               156           157           158           159           160 
      1   0.139618D+01 -0.175530D+01  0.159349D+01 -0.232084D+01  0.679432D+00
      2   0.600760D+01 -0.361037D+01  0.388030D+01 -0.478132D+01  0.344710D+01
      3   0.975524D+00 -0.522744D+01  0.696735D+01 -0.185121D+01  0.967182D+00
               161           162           163           164           165 
      1  -0.131972D+00  0.919018D+00  0.314345D-01 -0.123465D+00 -0.437221D-01
      2  -0.245545D+01  0.207734D+01 -0.235778D+01 -0.192161D+00  0.991805D+00
      3  -0.332454D+01  0.177160D+01  0.757666D+00 -0.125313D+01  0.820974D-01
               166           167           168           169           170 
      1  -0.344060D+00 -0.307749D+00 -0.341833D+00  0.196247D+00  0.388726D+01
      2  -0.383049D+00 -0.136077D+01 -0.929537D+00 -0.446182D+00 -0.271792D+00
      3  -0.533611D+00 -0.701948D+00  0.186308D+01  0.271721D+00  0.349983D+01
               171 
      1  -0.110004D+01
      2  -0.235118D+02
      3   0.131246D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.183531D+01  0.163938D+02 -0.175062D+02  0.199564D+02 -0.210242D+02
      2  -0.441164D+01 -0.669761D+01  0.769777D+01 -0.959530D+01  0.578510D+01
      3   0.624695D+01 -0.969622D+01  0.980847D+01 -0.103611D+02  0.152391D+02
      4   0.198100D+02 -0.172255D+02  0.232303D+01 -0.246397D+02 -0.146735D+02
      5  -0.177807D+02 -0.720951D+00  0.443098D+01 -0.164064D+01 -0.850815D+01
      6  -0.853038D+00  0.203701D+01 -0.149245D+00  0.168503D+01  0.377470D+01
                 6             7             8             9            10 
      1   0.694143D+00 -0.207995D+02  0.252345D+01  0.973630D+01 -0.829496D+01
      2   0.420529D+00  0.632115D+01 -0.599474D+00  0.941408D+01  0.415727D+00
      3  -0.111467D+01  0.144783D+02 -0.192398D+01 -0.191504D+02  0.787923D+01
      4  -0.984294D+01  0.436344D+01 -0.114599D+02  0.298698D+01 -0.706115D+01
      5   0.127738D+01  0.580445D+00  0.163515D+01  0.314060D+02  0.117107D+02
      6   0.175438D+01  0.590493D+00  0.165311D+01 -0.496722D+01 -0.475477D+01
                11            12            13            14            15 
      1  -0.472702D+01  0.106430D+02 -0.621510D+01  0.141131D+02  0.351959D+01
      2   0.103724D+01 -0.755852D+01  0.262103D+01 -0.170669D+02 -0.647285D+01
      3   0.368977D+01 -0.308447D+01  0.359407D+01  0.295378D+01  0.295326D+01
      4   0.658185D+01 -0.213540D+01  0.155986D+02  0.589721D+01  0.520193D+01
      5   0.872286D+00 -0.882146D+00  0.289984D+01  0.525461D+01  0.164689D+01
      6   0.332731D+00  0.246269D+00  0.922129D+00 -0.773964D+01  0.237733D+01
                16            17            18            19            20 
      1   0.148423D+02  0.253902D+01  0.423415D+01 -0.119161D+02 -0.257721D+01
      2  -0.700863D+01 -0.319013D+01 -0.106857D+01  0.163032D+02  0.313771D+01
      3  -0.783364D+01  0.651114D+00 -0.316557D+01 -0.438712D+01 -0.560505D+00
      4  -0.231823D+01  0.511530D+01  0.154844D+01  0.521643D+01  0.354313D+01
      5  -0.962666D+00  0.250011D+01 -0.129123D+02  0.318621D+01 -0.442963D+00
      6  -0.375612D+00 -0.231102D+01  0.231410D+01  0.351043D+01 -0.722676D+00
                21            22            23            24            25 
      1   0.111996D+01 -0.665050D+00  0.767284D+00  0.298581D+01 -0.738292D+01
      2   0.474595D+00 -0.320343D+00 -0.491681D+01 -0.169591D+01  0.177735D+01
      3  -0.159456D+01  0.985392D+00  0.414952D+01 -0.128990D+01  0.560558D+01
      4   0.182099D+01 -0.114583D+02  0.108624D+01  0.305416D+00 -0.828083D+00
      5   0.872308D+00  0.202189D+01  0.775692D+00  0.391086D+00  0.108189D+01
      6   0.403651D+00  0.414382D-01  0.182510D+01 -0.428952D+01 -0.158073D+01
                26            27            28            29            30 
      1   0.213694D+01  0.982477D+01  0.442492D+01  0.102829D+02 -0.151435D+01
      2  -0.584271D+01  0.119429D+02 -0.855202D+01 -0.964848D+01 -0.309291D+01
      3   0.370577D+01 -0.217676D+02  0.412709D+01 -0.634467D+00  0.460726D+01
      4  -0.254476D+01 -0.390389D+00 -0.302053D-01 -0.107695D+02 -0.771109D+01
      5  -0.174834D+01  0.195811D+01 -0.340980D+01 -0.840042D+01 -0.971688D+01
      6   0.125208D+01  0.397208D+01 -0.630827D+01 -0.178106D+01 -0.347725D+01
                31            32            33            34            35 
      1  -0.249699D+01  0.477242D+01  0.152032D+01 -0.467270D+01 -0.517261D+01
      2  -0.311181D+01 -0.133264D+02  0.569468D+01  0.692789D+00 -0.215506D+01
      3   0.560880D+01  0.855403D+01 -0.721501D+01  0.397991D+01  0.732767D+01
      4  -0.176940D+02 -0.203048D+02 -0.504567D+01 -0.159752D+02 -0.171792D+01
      5  -0.157038D+02 -0.761195D+01 -0.101536D+02 -0.487191D+01 -0.355912D+01
      6  -0.204992D+01 -0.894336D+01 -0.615781D+01 -0.322805D-01 -0.140052D+00
                36            37            38            39            40 
      1  -0.240075D+01 -0.139044D+02 -0.145106D+02  0.480218D+01 -0.230977D+02
      2   0.136951D+00  0.947914D+01  0.711108D+01  0.228041D+00  0.125939D+02
      3   0.226379D+01  0.442530D+01  0.739947D+01 -0.503022D+01  0.105039D+02
      4  -0.271867D+01 -0.184876D+02  0.762617D+01  0.559662D+01  0.107362D+02
      5   0.366080D+01  0.553075D+01  0.566679D+01  0.431226D+01  0.115787D+02
      6  -0.720761D+01  0.492213D+01 -0.408480D+00 -0.363331D+01 -0.113993D+01
                41            42            43            44            45 
      1  -0.204415D+01  0.369566D+01  0.385855D+01  0.207631D+01 -0.375555D+01
      2   0.652031D+01 -0.477447D+01 -0.152261D+01 -0.122082D+01 -0.733055D+01
      3  -0.447616D+01  0.107882D+01 -0.233593D+01 -0.855483D+00  0.110861D+02
      4  -0.151931D+02 -0.498566D+01  0.834907D+01 -0.512310D+01 -0.716609D+01
      5  -0.306124D+01 -0.833764D+01  0.916634D+01 -0.661434D+01 -0.152175D+02
      6   0.390499D+01  0.623312D+01 -0.332531D+01  0.540977D+01  0.335244D+01
                46            47            48            49            50 
      1   0.120018D+02  0.771113D+01 -0.102755D+02  0.668419D+01 -0.360037D+01
      2  -0.213827D+01 -0.209205D+00  0.363348D+01 -0.218618D+00  0.974294D+01
      3  -0.986355D+01 -0.750193D+01  0.664206D+01 -0.646557D+01 -0.614257D+01
      4   0.614688D+01 -0.138228D+02  0.792047D+01 -0.150958D+02 -0.934510D+00
      5  -0.464540D+01  0.100157D+02 -0.111576D+02  0.872343D+01 -0.181301D+02
      6   0.153236D+02 -0.101963D+02 -0.117084D+01 -0.115361D+02 -0.352179D+01
                51            52            53            54            55 
      1   0.161940D+01 -0.899663D+01 -0.309545D-01 -0.791999D+01  0.120703D+02
      2   0.377844D+01  0.272614D+01  0.389208D+01 -0.568830D+01 -0.113402D+02
      3  -0.539783D+01  0.627049D+01 -0.386113D+01  0.136083D+02 -0.730065D+00
      4  -0.117483D+02  0.614547D+01 -0.838405D+01 -0.140580D+01  0.573923D+01
      5  -0.732660D+00 -0.109964D+02 -0.219493D+01  0.892617D+01 -0.227323D+01
      6  -0.134139D+02 -0.508537D+00 -0.969999D+01 -0.241014D+01  0.415805D+01
                56            57            58            59            60 
      1  -0.956684D+01  0.556098D+00 -0.769237D+01 -0.116120D+02 -0.305820D+01
      2   0.156846D+02 -0.292261D+01  0.142337D+02  0.199196D+02  0.526004D+01
      3  -0.611777D+01  0.236651D+01 -0.654137D+01 -0.830764D+01 -0.220184D+01
      4  -0.428776D+01  0.321530D+01  0.355884D+01  0.136820D+02 -0.369539D+01
      5   0.222244D+01  0.237136D+01  0.409958D+00 -0.283294D+01  0.142384D+01
      6  -0.552987D+01  0.887042D+01 -0.552970D+01  0.465774D+01  0.229702D+01
                61            62            63            64            65 
      1   0.306721D+01 -0.810345D+00  0.163221D+01  0.167178D+02  0.657963D+01
      2  -0.345567D+01  0.563041D+01 -0.430248D+01 -0.584646D+01  0.123744D+01
      3   0.388464D+00 -0.482007D+01  0.267026D+01 -0.108714D+02 -0.781707D+01
      4   0.409421D+01 -0.263780D+01  0.823097D+01  0.180291D+02  0.199404D+02
      5   0.355759D+01  0.331201D+01 -0.111432D+01  0.124034D+02  0.903783D+01
      6   0.954180D+01 -0.687206D+00 -0.121098D+02  0.550877D+01  0.429332D+01
                66            67            68            69            70 
      1   0.323643D+01  0.992485D+01 -0.131998D+02 -0.569159D+01  0.659397D+01
      2  -0.305441D+01  0.541751D+00  0.302571D+02  0.225218D+01 -0.348655D+01
      3  -0.182016D+00 -0.104666D+02 -0.170573D+02  0.343941D+01 -0.310742D+01
      4   0.795734D+01  0.270308D+02  0.403298D+02  0.107833D+02  0.931616D+01
      5   0.146760D+02  0.104960D+02  0.139664D+02  0.147020D+02  0.151255D+02
      6   0.563849D+01  0.586471D+01  0.144773D+02  0.150847D+02  0.595800D+01
                71            72            73            74            75 
      1  -0.268082D+01 -0.542444D+01  0.133346D+01 -0.159685D+00 -0.314097D+00
      2   0.185765D+01 -0.303661D+01 -0.465062D+01  0.371359D+00  0.390327D+00
      3   0.823172D+00  0.846105D+01  0.331716D+01 -0.211674D+00 -0.762299D-01
      4   0.862744D+01  0.122143D+02 -0.641927D+00  0.122954D+01 -0.116488D+01
      5   0.132788D+02  0.167734D+02 -0.124511D+01 -0.470028D+00  0.583325D+01
      6   0.135377D+02  0.114855D+02 -0.124481D+01  0.147312D+00  0.344614D+00
                76            77            78            79            80 
      1   0.799990D+00 -0.393244D+01  0.210850D+00  0.108559D+01  0.266904D+01
      2   0.498774D+00  0.672970D+00 -0.120948D+01  0.740106D+00 -0.129451D+01
      3  -0.129876D+01  0.325947D+01  0.998634D+00 -0.182569D+01 -0.137453D+01
      4   0.262003D+01 -0.273590D+00 -0.161908D+00 -0.175334D-01  0.600203D+00
      5   0.309864D-01 -0.500710D+00 -0.321921D+00  0.561889D+01  0.483751D+00
      6   0.126238D+00 -0.104009D+01  0.666718D+01  0.128025D+00  0.532650D+01
                81            82            83            84            85 
      1  -0.192154D+02 -0.494087D+00 -0.257118D+01 -0.211872D+01 -0.422557D+01
      2  -0.161684D+02  0.339321D+01  0.302361D+01  0.174840D+01  0.408634D+01
      3   0.353838D+02 -0.289912D+01 -0.452433D+00  0.370313D+00  0.139227D+00
      4  -0.387853D+00  0.238787D+00  0.327812D+01  0.107274D+01  0.275184D+01
      5  -0.329433D+00 -0.149186D+01  0.733874D+00  0.108540D+01  0.101575D+01
      6  -0.663848D+01  0.192243D+01  0.884430D+00  0.729904D+00  0.731370D+00
                86            87            88            89            90 
      1  -0.171209D+02 -0.270550D+01 -0.358288D+01 -0.401877D+01 -0.498971D+01
      2   0.275012D+02  0.556603D+01  0.210367D+01  0.436347D+01  0.296791D+01
      3  -0.103803D+02 -0.286053D+01  0.147922D+01 -0.344696D+00  0.202181D+01
      4  -0.105624D+02 -0.277992D+01  0.491345D+00 -0.292147D+01 -0.209220D+01
      5  -0.285038D+01 -0.393792D+01  0.223300D+01 -0.247886D+01 -0.631632D+00
      6   0.850526D+01  0.672214D+01  0.112575D+01  0.800798D+01  0.465624D+01
                91            92            93            94            95 
      1   0.456471D+02  0.534708D+01 -0.112672D+02  0.179374D+02  0.577535D+01
      2  -0.260213D+02 -0.347348D+01  0.776227D+01 -0.992061D+01 -0.258134D+01
      3  -0.196258D+02 -0.187360D+01  0.350492D+01 -0.801679D+01 -0.319401D+01
      4   0.460852D+01  0.655265D+01 -0.115353D+01  0.925948D+01  0.445695D+01
      5  -0.172001D+02 -0.157926D+01  0.106262D+02 -0.804557D+01 -0.351313D+01
      6  -0.282041D+01 -0.974739D+00  0.117068D+01 -0.346847D+01 -0.190801D+01
                96            97            98            99           100 
      1  -0.521036D+01 -0.486827D+01 -0.458753D+00  0.510105D+01 -0.229626D+01
      2   0.355736D+01  0.443026D+01  0.616457D+00 -0.481287D+01  0.774296D+01
      3   0.165299D+01  0.438008D+00 -0.157704D+00 -0.288177D+00 -0.544670D+01
      4  -0.317868D+01 -0.727112D+00 -0.172025D+01  0.688320D+00 -0.858981D+01
      5   0.505681D+01  0.961229D+01  0.128695D+01 -0.659299D+01  0.294942D+01
      6   0.221748D+01  0.686421D+00  0.132665D+01 -0.853076D+00 -0.560766D+01
               101           102           103           104           105 
      1   0.793223D+01 -0.248884D+01  0.616724D+01 -0.130204D+02  0.391353D+01
      2  -0.151918D+02  0.394331D+01 -0.115893D+02  0.239785D+02 -0.645133D+01
      3   0.725957D+01 -0.145447D+01  0.542204D+01 -0.109581D+02  0.253781D+01
      4   0.128211D+02 -0.473471D+01  0.117822D+02 -0.121103D+02  0.425069D+01
      5  -0.279988D+01  0.317143D+01 -0.164182D+01  0.273817D+01 -0.147740D+01
      6   0.769887D+01 -0.630431D+01  0.584354D+01 -0.963225D+01  0.731118D+01
               106           107           108           109           110 
      1  -0.376678D+01  0.603673D+01 -0.518186D+01 -0.120219D+01  0.146907D+01
      2   0.487891D+01 -0.853178D+01  0.460316D+01  0.157231D+01 -0.154236D+01
      3  -0.111213D+01  0.249505D+01  0.578702D+00 -0.370120D+00  0.732901D-01
      4  -0.633332D+01  0.582636D+01 -0.487440D+01  0.385558D+00  0.314630D+01
      5   0.330272D+01 -0.245426D+01  0.247137D+01 -0.108782D+01 -0.337630D+00
      6  -0.618140D+01  0.988224D+01 -0.730914D+01  0.379968D+00 -0.215380D+01
               111           112           113           114           115 
      1   0.162660D+01  0.103347D+01 -0.343392D+01 -0.251827D+01  0.931793D+00
      2  -0.999190D+00 -0.900805D+00  0.466738D+01  0.296949D+01 -0.122127D+01
      3  -0.627406D+00 -0.132660D+00 -0.123346D+01 -0.451213D+00  0.289475D+00
      4   0.455223D+00  0.306427D+01 -0.869468D+00 -0.117787D+01  0.383646D+01
      5   0.168495D+01  0.743131D-01 -0.294771D+00 -0.336396D+00  0.135314D+01
      6  -0.307420D+01 -0.143822D+01  0.301427D+01  0.626377D+01 -0.349209D+01
               116           117           118           119           120 
      1  -0.619963D+01 -0.746793D+01  0.234651D+01  0.180272D+01  0.159803D+01
      2   0.798957D+01  0.121842D+01 -0.321202D+01 -0.244403D+01 -0.359723D+01
      3  -0.178994D+01  0.624951D+01  0.865518D+00  0.641312D+00  0.199920D+01
      4  -0.160303D+01 -0.325435D+01  0.327163D+01  0.646467D+01  0.141103D+01
      5  -0.118273D+01 -0.938541D+00  0.598796D+01  0.367296D+01  0.790686D+01
      6   0.743418D+01  0.198503D+02  0.176511D+01  0.510275D+01  0.214602D+01
               121           122           123           124           125 
      1   0.381753D+01 -0.291064D+01 -0.520370D+01  0.120894D+01 -0.285521D+01
      2  -0.439833D+01 -0.127840D+01 -0.705453D+01 -0.268142D+01 -0.404833D+01
      3   0.580808D+00  0.418903D+01  0.122582D+02  0.147248D+01  0.690354D+01
      4   0.606666D+01  0.121198D+02  0.687824D+01  0.806908D+00  0.479005D+01
      5   0.723007D+01  0.100433D+02  0.109953D+02  0.622247D+01  0.553011D+01
      6   0.520713D+01  0.168385D+02  0.105548D+02  0.208363D+01  0.977590D+01
               126           127           128           129           130 
      1  -0.450121D+01 -0.906083D+01 -0.576775D+01  0.126779D+02 -0.452884D+01
      2  -0.530149D+01  0.897975D+00  0.276360D+01  0.218418D+01  0.241466D+01
      3   0.980270D+01  0.816285D+01  0.300414D+01 -0.148621D+02  0.211418D+01
      4   0.420629D+01  0.581101D+01  0.330549D+01 -0.302934D+01  0.435048D+01
      5   0.729377D+01 -0.129023D+02 -0.360040D+01  0.558950D+01 -0.402475D+01
      6   0.683306D+01 -0.690274D+01 -0.613553D+01  0.728458D+01 -0.339189D+01
               131           132           133           134           135 
      1  -0.476591D+01  0.437379D+01  0.850114D+01  0.379359D+01 -0.103085D+02
      2   0.247112D+01 -0.115334D+01  0.120510D+01 -0.967796D+00 -0.349482D+01
      3   0.229479D+01 -0.322045D+01 -0.970624D+01 -0.282580D+01  0.138033D+02
      4   0.130453D+01  0.553661D+00 -0.236239D+01  0.117558D+00  0.208759D+01
      5   0.143758D+00  0.900077D+00  0.778288D+01  0.146952D+01 -0.440487D+01
      6  -0.469568D+01  0.700553D+01  0.448155D+01  0.618168D+01 -0.577890D+01
               136           137           138           139           140 
      1   0.118026D+02 -0.408456D+01  0.171613D+01 -0.535269D+01 -0.227670D+01
      2  -0.684287D+01 -0.345405D+00 -0.527125D+01  0.273629D+00  0.635923D+01
      3  -0.495974D+01  0.442996D+01  0.355512D+01  0.507906D+01 -0.408253D+01
      4  -0.157292D+02  0.146463D+02 -0.829422D+01  0.151970D+02 -0.163994D+02
      5   0.183246D+02 -0.115158D+02  0.157030D+02 -0.126676D+02  0.127914D+02
      6  -0.108592D+02  0.113417D+02 -0.850436D+01  0.104174D+02 -0.150382D+02
               141           142           143           144           145 
      1   0.318751D+01  0.149284D+01  0.215043D+01 -0.179399D+01  0.989498D+01
      2   0.663255D+00 -0.392770D+01  0.780372D+00 -0.393719D+01 -0.196877D+01
      3  -0.385077D+01  0.243486D+01 -0.293081D+01  0.573118D+01 -0.792621D+01
      4   0.932175D+01 -0.511609D+01  0.594080D+01 -0.682919D+01  0.741698D+01
      5  -0.108198D+02  0.115667D+02 -0.739599D+01  0.105002D+02  0.167302D+01
      6   0.129942D+02 -0.614090D+01  0.970757D+01 -0.858491D+01 -0.635331D+00
               146           147           148           149           150 
      1   0.653494D+01  0.284545D+01  0.159168D+02  0.844430D+01  0.234976D+00
      2  -0.155152D+01 -0.937440D+00 -0.577982D+01  0.511407D+01  0.164750D+01
      3  -0.498342D+01 -0.190801D+01 -0.101370D+02 -0.135584D+02 -0.188248D+01
      4   0.131529D+02  0.964254D+00  0.169808D+02  0.316150D+02  0.329781D+01
      5   0.132007D+00  0.245543D+01 -0.179562D+01  0.318967D+01  0.853574D+01
      6  -0.173563D+01  0.464654D+00 -0.141341D+01 -0.450504D+01  0.216869D+01
               151           152           153           154           155 
      1   0.755340D+01  0.136343D+01 -0.159535D+00  0.484721D+02 -0.170604D+02
      2  -0.293507D+01  0.626280D+00 -0.121440D+01 -0.203105D+02  0.529595D+01
      3  -0.461833D+01 -0.198971D+01  0.137394D+01 -0.281616D+02  0.117644D+02
      4   0.232140D+01  0.629723D+01  0.416785D+01 -0.236350D+02  0.183771D+02
      5   0.341308D+01  0.474122D+01  0.551963D-01  0.183184D+01 -0.708106D+00
      6   0.107852D+01  0.228860D+01  0.110434D+01  0.178522D+01 -0.204510D+01
               156           157           158           159           160 
      1   0.622548D+01 -0.261471D+02  0.131069D+02 -0.190031D+01  0.152491D+02
      2  -0.201302D+01  0.893559D+01  0.271617D+00 -0.583370D+00 -0.616784D+01
      3  -0.421246D+01  0.172115D+02 -0.133785D+02  0.248368D+01 -0.908124D+01
      4  -0.271991D+01  0.231501D+02 -0.186249D+02  0.384534D+01 -0.674116D+01
      5   0.844095D+01  0.332524D+00  0.222331D+01 -0.741854D+01  0.794857D+01
      6  -0.128316D+01 -0.183437D+01  0.104324D+01  0.246570D+01 -0.150035D+01
               161           162           163           164           165 
      1  -0.373933D+01  0.436520D+01  0.195306D+01 -0.163626D+01 -0.472200D+01
      2   0.527215D+00 -0.354190D+01 -0.334005D+01  0.745194D+00  0.296408D+01
      3   0.321211D+01 -0.823307D+00  0.138700D+01  0.891063D+00  0.175792D+01
      4   0.690087D+01 -0.507743D+01 -0.145512D+01  0.274170D+01  0.184731D+00
      5  -0.457592D+01  0.261212D+01 -0.393141D+01  0.200238D+00  0.723645D+01
      6   0.163476D+01 -0.101526D+01  0.710512D+00 -0.154888D+00  0.297395D+00
               166           167           168           169           170 
      1  -0.251262D+01  0.427391D+00 -0.986748D+00 -0.873522D+01 -0.641612D+00
      2   0.102773D+01 -0.102203D+01  0.223967D+00  0.911118D+01  0.248004D+00
      3   0.148490D+01  0.594639D+00  0.762780D+00 -0.375956D+00  0.393608D+00
      4   0.498607D+01  0.498455D+00 -0.419165D+01  0.694611D+00 -0.610355D+01
      5   0.706334D+00 -0.382295D+01 -0.139330D+01  0.165109D+02 -0.989006D+00
      6  -0.140677D+01  0.961620D+00  0.638355D+01 -0.149285D+01  0.672150D+01
               171 
      1  -0.115346D+02
      2  -0.201455D+02
      3   0.316801D+02
      4  -0.193440D+01
      5  -0.458854D+02
      6   0.528511D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Mon Aug 16 21:41:20 2021, MaxMem=  5637144576 cpu:            9284.8 elap:            1164.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -18.99911 -18.93925 -14.15857 -10.19864 -10.10762
 Alpha  occ. eigenvalues --  -10.07287 -10.05145 -10.04336  -1.22656  -1.13222
 Alpha  occ. eigenvalues --   -1.02176  -0.91883  -0.82928  -0.80794  -0.74462
 Alpha  occ. eigenvalues --   -0.67988  -0.63489  -0.62619  -0.60398  -0.57822
 Alpha  occ. eigenvalues --   -0.55453  -0.54532  -0.52535  -0.51809  -0.48965
 Alpha  occ. eigenvalues --   -0.47779  -0.45272  -0.43972  -0.43119  -0.42877
 Alpha  occ. eigenvalues --   -0.41479  -0.34959
 Alpha virt. eigenvalues --    0.02708   0.03986   0.04138   0.04624   0.05792
 Alpha virt. eigenvalues --    0.06242   0.06634   0.07045   0.07747   0.07835
 Alpha virt. eigenvalues --    0.08908   0.09926   0.10888   0.11762   0.12262
 Alpha virt. eigenvalues --    0.13313   0.13981   0.14222   0.15078   0.15365
 Alpha virt. eigenvalues --    0.15546   0.16056   0.17429   0.17569   0.18274
 Alpha virt. eigenvalues --    0.18643   0.19336   0.19734   0.19984   0.20319
 Alpha virt. eigenvalues --    0.21056   0.21633   0.22385   0.23595   0.24783
 Alpha virt. eigenvalues --    0.25066   0.25467   0.25999   0.27322   0.27851
 Alpha virt. eigenvalues --    0.28798   0.29135   0.30729   0.30986   0.31623
 Alpha virt. eigenvalues --    0.32075   0.32857   0.33082   0.33739   0.34517
 Alpha virt. eigenvalues --    0.34833   0.35444   0.36279   0.37151   0.39178
 Alpha virt. eigenvalues --    0.40078   0.40478   0.40790   0.41986   0.42777
 Alpha virt. eigenvalues --    0.43262   0.43677   0.44618   0.45334   0.45509
 Alpha virt. eigenvalues --    0.46359   0.47609   0.48022   0.48624   0.48937
 Alpha virt. eigenvalues --    0.49920   0.50356   0.51936   0.52846   0.53148
 Alpha virt. eigenvalues --    0.53740   0.54379   0.54822   0.54955   0.56405
 Alpha virt. eigenvalues --    0.57260   0.57664   0.57782   0.58801   0.60568
 Alpha virt. eigenvalues --    0.61060   0.62116   0.62992   0.64076   0.65385
 Alpha virt. eigenvalues --    0.66415   0.67111   0.68312   0.68686   0.69322
 Alpha virt. eigenvalues --    0.69912   0.70891   0.71209   0.71645   0.73546
 Alpha virt. eigenvalues --    0.74060   0.74311   0.75371   0.76300   0.77798
 Alpha virt. eigenvalues --    0.78868   0.79293   0.80032   0.80801   0.83017
 Alpha virt. eigenvalues --    0.84154   0.84867   0.85789   0.86726   0.87555
 Alpha virt. eigenvalues --    0.88259   0.89638   0.90874   0.91175   0.92628
 Alpha virt. eigenvalues --    0.94896   0.95177   0.96832   0.98900   1.00419
 Alpha virt. eigenvalues --    1.01716   1.02053   1.03669   1.04690   1.05228
 Alpha virt. eigenvalues --    1.07798   1.09081   1.10963   1.11336   1.13067
 Alpha virt. eigenvalues --    1.14689   1.16982   1.18154   1.18773   1.21658
 Alpha virt. eigenvalues --    1.22434   1.24240   1.25814   1.26476   1.28841
 Alpha virt. eigenvalues --    1.29752   1.31735   1.33967   1.35891   1.37242
 Alpha virt. eigenvalues --    1.39329   1.41021   1.45144   1.47081   1.48863
 Alpha virt. eigenvalues --    1.50210   1.53017   1.54467   1.55943   1.58128
 Alpha virt. eigenvalues --    1.59646   1.63349   1.64772   1.65778   1.67334
 Alpha virt. eigenvalues --    1.69472   1.70733   1.73255   1.75015   1.76602
 Alpha virt. eigenvalues --    1.78196   1.79553   1.83160   1.84840   1.85353
 Alpha virt. eigenvalues --    1.87451   1.88825   1.89153   1.90717   1.92303
 Alpha virt. eigenvalues --    1.95140   1.96327   1.97669   1.98393   1.99853
 Alpha virt. eigenvalues --    2.01824   2.03409   2.03925   2.06738   2.07578
 Alpha virt. eigenvalues --    2.09226   2.11756   2.12159   2.14544   2.17006
 Alpha virt. eigenvalues --    2.17580   2.20941   2.22596   2.23718   2.25752
 Alpha virt. eigenvalues --    2.27075   2.29083   2.30550   2.31831   2.32918
 Alpha virt. eigenvalues --    2.34071   2.37592   2.38068   2.40490   2.41341
 Alpha virt. eigenvalues --    2.43056   2.44855   2.47757   2.48908   2.53180
 Alpha virt. eigenvalues --    2.56710   2.59129   2.60511   2.62571   2.63637
 Alpha virt. eigenvalues --    2.66415   2.68829   2.71804   2.75187   2.77317
 Alpha virt. eigenvalues --    2.79255   2.81825   2.84384   2.88980   2.91117
 Alpha virt. eigenvalues --    2.94788   2.98270   3.00639   3.02901   3.11850
 Alpha virt. eigenvalues --    3.17544   3.20174   3.36624   3.42266   3.44907
 Alpha virt. eigenvalues --    3.45695   3.47659   3.50424   3.51498   3.52501
 Alpha virt. eigenvalues --    3.53679   3.60503   3.71307   3.78924   3.95879
 Alpha virt. eigenvalues --    4.07988
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.889920   0.038219  -0.024001  -0.151461   0.007499  -0.219520
     2  C    0.038219   8.647033  -0.972854   0.006170   0.097661  -0.177757
     3  C   -0.024001  -0.972854   8.991050  -1.169431  -0.144852  -0.293486
     4  C   -0.151461   0.006170  -1.169431   7.228489  -0.202652  -0.087996
     5  O    0.007499   0.097661  -0.144852  -0.202652   8.341108   0.027099
     6  C   -0.219520  -0.177757  -0.293486  -0.087996   0.027099   4.684404
     7  N   -0.020446  -0.416191  -0.201618   0.054807   0.009732   0.132263
     8  O    0.001533   0.074218   0.065618  -0.037689   0.016370   0.014912
     9  H   -0.012185   0.303489  -0.942616  -0.193498   0.040879   0.105365
    10  H   -0.040653  -1.418922   0.177090  -0.024082  -0.006134   0.187878
    11  H    0.003740  -0.029292   0.134733  -0.124203   0.258410  -0.006446
    12  H   -0.025311   0.090265   0.053616   0.000048  -0.006887  -0.033234
    13  H    0.019740   0.011634  -0.182080  -0.059609   0.022430   0.002035
    14  H   -0.100186  -0.057499  -0.008124  -0.011645   0.006234   0.282291
    15  H   -0.100104   0.169224  -0.084111  -0.036529   0.018666   0.196756
    16  H    0.116014  -0.003152   0.013924   0.040807  -0.005600   0.138729
    17  H    0.391406  -0.078863  -0.066574   0.020788  -0.001483  -0.099266
    18  H    0.144891   0.104739   0.083485  -0.037480   0.001331   0.008958
    19  H    0.088269   0.196338  -0.094554   0.032417   0.000305  -0.001313
               7          8          9         10         11         12
     1  C   -0.020446   0.001533  -0.012185  -0.040653   0.003740  -0.025311
     2  C   -0.416191   0.074218   0.303489  -1.418922  -0.029292   0.090265
     3  C   -0.201618   0.065618  -0.942616   0.177090   0.134733   0.053616
     4  C    0.054807  -0.037689  -0.193498  -0.024082  -0.124203   0.000048
     5  O    0.009732   0.016370   0.040879  -0.006134   0.258410  -0.006887
     6  C    0.132263   0.014912   0.105365   0.187878  -0.006446  -0.033234
     7  N    6.704086  -0.017167   0.122954   0.093047  -0.009555   0.201292
     8  O   -0.017167   8.413233   0.036286  -0.000894  -0.034310   0.000388
     9  H    0.122954   0.036286   2.032848  -0.039341  -0.002100  -0.075748
    10  H    0.093047  -0.000894  -0.039341   2.713874   0.001118  -0.001690
    11  H   -0.009555  -0.034310  -0.002100   0.001118   0.620766   0.000939
    12  H    0.201292   0.000388  -0.075748  -0.001690   0.000939   0.955690
    13  H    0.384384   0.000585   0.051317   0.000452  -0.004506  -0.139955
    14  H   -0.015481   0.000246  -0.003523   0.106471  -0.000385  -0.005569
    15  H    0.035030   0.012364   0.018898  -0.023241  -0.003141  -0.000368
    16  H   -0.001569  -0.003142   0.005358  -0.098085   0.001243   0.000539
    17  H   -0.028014  -0.002554  -0.010148   0.120080   0.000920  -0.001254
    18  H   -0.007749   0.001900   0.019132  -0.085977  -0.000421   0.001802
    19  H    0.056963   0.000192  -0.041306  -0.078058   0.000414  -0.001720
              13         14         15         16         17         18
     1  C    0.019740  -0.100186  -0.100104   0.116014   0.391406   0.144891
     2  C    0.011634  -0.057499   0.169224  -0.003152  -0.078863   0.104739
     3  C   -0.182080  -0.008124  -0.084111   0.013924  -0.066574   0.083485
     4  C   -0.059609  -0.011645  -0.036529   0.040807   0.020788  -0.037480
     5  O    0.022430   0.006234   0.018666  -0.005600  -0.001483   0.001331
     6  C    0.002035   0.282291   0.196756   0.138729  -0.099266   0.008958
     7  N    0.384384  -0.015481   0.035030  -0.001569  -0.028014  -0.007749
     8  O    0.000585   0.000246   0.012364  -0.003142  -0.002554   0.001900
     9  H    0.051317  -0.003523   0.018898   0.005358  -0.010148   0.019132
    10  H    0.000452   0.106471  -0.023241  -0.098085   0.120080  -0.085977
    11  H   -0.004506  -0.000385  -0.003141   0.001243   0.000920  -0.000421
    12  H   -0.139955  -0.005569  -0.000368   0.000539  -0.001254   0.001802
    13  H    0.844761   0.029693  -0.004873  -0.003753  -0.000772  -0.002796
    14  H    0.029693   1.662073  -0.265046  -0.442544   0.002098  -0.024674
    15  H   -0.004873  -0.265046   1.711220  -0.419486   0.000196   0.010711
    16  H   -0.003753  -0.442544  -0.419486   1.889906  -0.013614   0.002873
    17  H   -0.000772   0.002098   0.000196  -0.013614   1.563609  -0.387674
    18  H   -0.002796  -0.024674   0.010711   0.002873  -0.387674   1.694970
    19  H    0.002639  -0.001981  -0.014541   0.022942  -0.294995  -0.366284
              19
     1  C    0.088269
     2  C    0.196338
     3  C   -0.094554
     4  C    0.032417
     5  O    0.000305
     6  C   -0.001313
     7  N    0.056963
     8  O    0.000192
     9  H   -0.041306
    10  H   -0.078058
    11  H    0.000414
    12  H   -0.001720
    13  H    0.002639
    14  H   -0.001981
    15  H   -0.014541
    16  H    0.022942
    17  H   -0.294995
    18  H   -0.366284
    19  H    1.677155
 Mulliken charges:
               1
     1  C    0.992637
     2  C   -0.584461
     3  C    0.664785
     4  C    0.752748
     5  O   -0.480116
     6  C    1.138329
     7  N   -0.076768
     8  O   -0.542092
     9  H   -0.416063
    10  H   -0.582933
    11  H    0.192076
    12  H   -0.012844
    13  H    0.028674
    14  H   -0.152450
    15  H   -0.221627
    16  H   -0.241389
    17  H   -0.113886
    18  H   -0.161737
    19  H   -0.182881
 Sum of Mulliken charges =   0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.534132
     2  C   -1.167394
     3  C    0.248723
     4  C    0.752748
     5  O   -0.288040
     6  C    0.522863
     7  N   -0.060938
     8  O   -0.542092
 Electronic spatial extent (au):  <R**2>=           1052.1478
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.5280    Y=              1.0946    Z=              1.0496  Tot=              1.6057
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -47.9031   YY=            -53.2234   ZZ=            -49.0095
   XY=             -5.4677   XZ=             -2.5871   YZ=             -2.6229
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              2.1423   YY=             -3.1781   ZZ=              1.0358
   XY=             -5.4677   XZ=             -2.5871   YZ=             -2.6229
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -35.3107  YYY=              8.2350  ZZZ=             -2.1151  XYY=             -3.3212
  XXY=             -0.2166  XXZ=             11.6762  XZZ=             -5.2103  YZZ=              4.1235
  YYZ=              3.7589  XYZ=              7.0250
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -727.1427 YYYY=           -306.9742 ZZZZ=           -262.0397 XXXY=             -7.6921
 XXXZ=            -31.4294 YYYX=            -25.0644 YYYZ=             -1.1027 ZZZX=             -7.2314
 ZZZY=              1.8413 XXYY=           -201.9291 XXZZ=           -174.8065 YYZZ=            -93.1705
 XXYZ=            -11.6737 YYXZ=              1.0508 ZZXY=             -2.3445
 N-N= 4.077550570018D+02 E-N=-1.753820521962D+03  KE= 3.991115458236D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Mon Aug 16 21:41:20 2021, MaxMem=  5637144576 cpu:               1.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-2.15179232D-01 4.45633264D-01 4.10580196D-01
 Polarizability= 8.21626208D+01 1.97498350D-01 7.14152288D+01
                -2.30729257D+00 1.72901418D+00 6.96613793D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        1.1843    1.1849        0.5223    0.5221
 2     -1.1843   -1.1849       -0.9902   -0.9893       -5.4722   -5.4717
 3     -0.5223   -0.5221        6.8039    6.8029        0.9899    0.9893
 4      0.9902    0.9893       -0.0000    0.0000       -0.5227   -0.5221
 5     -1.3318   -1.3312        0.5227    0.5221        1.1836    1.1849
 6     -0.9899   -0.9893       -1.1836   -1.1849       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -3.5547   -3.5547        1.5662    1.5662
 2      2.9680    2.9680        0.0000    0.0000        1.5662    1.5662
 3      2.9680    2.9680       -3.5547   -3.5547        0.0000    0.0000
 4     -3.5547   -3.5547       -2.9680   -2.9680      -16.4152  -16.4152
 5     -1.5662   -1.5662       20.4087   20.4087        2.9680    2.9680
 6     -3.9935   -3.9935        1.5662    1.5662        3.5547    3.5547
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0232    0.0000       -4.7273   -4.7396       -2.0680   -2.0883
 2      4.7399    4.7396        3.9984    3.9573       21.8154   21.8869
 3      2.0783    2.0883      -27.2258  -27.2116       -3.9362   -3.9573
 4     -3.9673   -3.9573       -0.0016    0.0000        2.0764    2.0883
 5      5.3313    5.3247       -2.0790   -2.0883       -4.7651   -4.7396
 6      3.9470    3.9573        4.7501    4.7396        0.0121    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0258    0.0000        6.6990    6.7221       -5.0469   -5.0521
 2     -6.7141   -6.7221        8.1972    8.2160       13.0265   13.0259
 3      5.0731    5.0521       17.8051   17.8338       -8.1110   -8.2160
 4     -8.2445   -8.2160        0.0263    0.0000        5.0572    5.0521
 5    -30.8412  -30.8598       -4.9803   -5.0521        6.6520    6.7221
 6      8.2189    8.2160       -6.7230   -6.7221       -0.0047    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -6.8330   -6.8293       11.5586   11.5630       10.1445   10.1195
 2    -23.1323  -23.1382       16.1429   16.1460       10.1348   10.1195
 3    -23.1534  -23.1382       11.5842   11.5630       15.7948   15.7843
 4     -4.5892   -4.5831       16.3427   16.3089       21.6579   21.6988
 5      5.6537    5.6648       39.3447   39.3491      -16.2699  -16.3089
 6    -61.0108  -61.0479       -5.5682   -5.6648        4.4702    4.5831
 Full mass-weighted force constant matrix:
 Low frequencies ---   -7.6631   -0.0003    0.0002    0.0008    2.8052    3.8533
 Low frequencies ---   39.2409   76.5673  177.9153
 Diagonal vibrational polarizability:
       23.3408449      18.6359899      37.6192271
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     39.2342                76.5652               177.9152
 Red. masses --      6.6756                 2.9674                 3.6021
 Frc consts  --      0.0061                 0.0102                 0.0672
 IR Inten    --      1.3583                 0.1549                 0.5357
 RamAct Fr= 1--      0.9604                 0.4458                 0.5505
  Dep-P Fr= 1--      0.7462                 0.7417                 0.6447
  Dep-U Fr= 1--      0.8547                 0.8517                 0.7840
 Alpha2 Fr= 1--      0.0001                 0.0001                 0.0010
 Beta2  Fr= 1--      0.1368                 0.0633                 0.0719
 AlphaG Fr= 1--     -0.0010                -0.0001                -0.0029
 Gamma2 Fr= 1--      0.0482                 0.1157                 0.1338
 Delta2 Fr= 1--     -0.0253                 0.0364                 0.0918
 Raman1 Fr= 1--       3.842                  1.783                  2.202
 ROA1   Fr= 1--       3.820                 12.267                 15.779
 CID1   Fr= 1--       0.994                  6.880                  7.166
 Raman2 Fr= 1--       1.642                  0.759                  0.863
 ROA2   Fr= 1--       1.359                  2.485                  2.476
 CID2   Fr= 1--       0.828                  3.272                  2.869
 Raman3 Fr= 1--       3.283                  1.519                  1.726
 ROA3   Fr= 1--       3.820                 12.267                 15.779
 CID3   Fr= 1--       1.163                  8.078                  9.140
 RC180  Fr= 1--       0.709                  0.703                  0.568
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.06  -0.06    -0.05  -0.16  -0.13    -0.02  -0.17  -0.01
     2   6     0.01  -0.01  -0.08    -0.01  -0.00   0.06    -0.10   0.04  -0.07
     3   6    -0.00   0.04   0.05     0.00   0.02   0.08    -0.01   0.15  -0.06
     4   6     0.00   0.01   0.05    -0.01  -0.00  -0.03     0.06   0.03  -0.00
     5   8    -0.20   0.23  -0.29    -0.10  -0.03  -0.08     0.04  -0.09   0.07
     6   6     0.03  -0.18  -0.09     0.15   0.17   0.05    -0.21   0.04  -0.06
     7   7     0.02   0.00   0.14    -0.01  -0.01   0.17     0.00   0.12   0.02
     8   8     0.16  -0.17   0.29     0.04   0.01  -0.09     0.21  -0.06   0.07
     9   1    -0.05   0.13   0.04     0.04   0.09   0.08    -0.03   0.20  -0.06
    10   1     0.01   0.03  -0.19    -0.11  -0.02   0.19    -0.22   0.08  -0.07
    11   1    -0.19   0.21  -0.29    -0.11  -0.04  -0.16     0.15  -0.23   0.16
    12   1    -0.03   0.04   0.26     0.02   0.03   0.17     0.02   0.16   0.05
    13   1     0.10  -0.08   0.17    -0.06  -0.06   0.16     0.00   0.07   0.03
    14   1     0.03  -0.22   0.02     0.33   0.18  -0.10    -0.02  -0.02  -0.05
    15   1     0.03  -0.23  -0.11     0.15   0.36   0.19    -0.30   0.25  -0.13
    16   1     0.03  -0.22  -0.17     0.08   0.11   0.06    -0.40  -0.13   0.00
    17   1     0.01   0.03   0.06     0.01  -0.12  -0.33     0.14  -0.20  -0.02
    18   1     0.01   0.02  -0.16    -0.03  -0.12  -0.08    -0.14  -0.29   0.04
    19   1    -0.02   0.20  -0.07    -0.14  -0.36  -0.12     0.01  -0.20  -0.01
                      4                      5                      6
                      A                      A                      A
 Frequencies --    212.9229               220.2118               262.8489
 Red. masses --      1.0661                 1.1037                 1.8168
 Frc consts  --      0.0285                 0.0315                 0.0740
 IR Inten    --      7.5512                23.7414                 3.6001
 RamAct Fr= 1--      0.1069                 0.0710                 0.3993
  Dep-P Fr= 1--      0.4212                 0.7360                 0.2358
  Dep-U Fr= 1--      0.5928                 0.8479                 0.3816
 Alpha2 Fr= 1--      0.0007                 0.0000                 0.0049
 Beta2  Fr= 1--      0.0106                 0.0100                 0.0254
 AlphaG Fr= 1--      0.0013                -0.0006                -0.0057
 Gamma2 Fr= 1--     -0.0062                -0.0276                -0.0503
 Delta2 Fr= 1--      0.0080                 0.0182                -0.0369
 Raman1 Fr= 1--       0.428                  0.284                  1.597
 ROA1   Fr= 1--      -0.334                 -2.066                 -6.008
 CID1   Fr= 1--      -0.782                 -7.279                 -3.761
 Raman2 Fr= 1--       0.127                  0.120                  0.305
 ROA2   Fr= 1--      -0.212                 -0.808                 -0.912
 CID2   Fr= 1--      -1.670                 -6.712                 -2.991
 Raman3 Fr= 1--       0.254                  0.241                  0.610
 ROA3   Fr= 1--      -0.334                 -2.066                 -6.008
 CID3   Fr= 1--      -1.319                 -8.584                 -9.857
 RC180  Fr= 1--       0.186                  0.696                 -0.237
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.04   0.01     0.02  -0.01   0.02    -0.03   0.01   0.01
     2   6     0.01   0.00  -0.01     0.00   0.02   0.01    -0.01   0.00   0.05
     3   6     0.00  -0.01  -0.02    -0.01  -0.00  -0.00    -0.01   0.03   0.05
     4   6    -0.00  -0.01  -0.00    -0.01  -0.01   0.01    -0.01   0.03   0.03
     5   8     0.02   0.01  -0.00    -0.02  -0.01  -0.00    -0.08  -0.03   0.02
     6   6    -0.02  -0.01  -0.01     0.03   0.02   0.01     0.10  -0.12   0.04
     7   7     0.00  -0.02   0.00    -0.01   0.01  -0.06    -0.01   0.08  -0.11
     8   8    -0.02  -0.00   0.01    -0.01   0.00  -0.02     0.05   0.02  -0.02
     9   1    -0.01  -0.00  -0.02    -0.02  -0.04  -0.00     0.00  -0.07   0.05
    10   1     0.03  -0.00  -0.02    -0.00   0.02   0.02    -0.05   0.03   0.00
    11   1     0.01   0.03   0.01    -0.03  -0.00  -0.03    -0.06  -0.07  -0.04
    12   1    -0.21  -0.05   0.24    -0.37  -0.08   0.30     0.17   0.05  -0.38
    13   1     0.30  -0.11   0.07     0.49  -0.06   0.05    -0.23   0.27  -0.18
    14   1     0.28  -0.09  -0.01     0.20  -0.03   0.02     0.48  -0.25   0.09
    15   1    -0.11   0.29  -0.02    -0.00   0.17   0.04     0.04   0.19   0.11
    16   1    -0.25  -0.23  -0.00    -0.08  -0.10  -0.01    -0.14  -0.43  -0.09
    17   1    -0.21   0.18  -0.28     0.23  -0.14   0.31    -0.05   0.02  -0.02
    18   1     0.09   0.30   0.32    -0.07  -0.26  -0.24    -0.01   0.04   0.01
    19   1     0.15  -0.32   0.03    -0.07   0.34   0.01    -0.06  -0.02   0.01
                      7                      8                      9
                      A                      A                      A
 Frequencies --    265.7551               295.0881               334.4582
 Red. masses --      1.3991                 3.1095                 3.2511
 Frc consts  --      0.0582                 0.1595                 0.2143
 IR Inten    --     10.2376                 3.9312                 3.3343
 RamAct Fr= 1--      0.0780                 0.2362                 1.1884
  Dep-P Fr= 1--      0.5467                 0.4997                 0.3353
  Dep-U Fr= 1--      0.7070                 0.6664                 0.5022
 Alpha2 Fr= 1--      0.0003                 0.0012                 0.0109
 Beta2  Fr= 1--      0.0092                 0.0262                 0.0995
 AlphaG Fr= 1--      0.0009                -0.0027                 0.0012
 Gamma2 Fr= 1--     -0.0413                 0.1067                -0.1831
 Delta2 Fr= 1--      0.0299                 0.1277                -0.1084
 Raman1 Fr= 1--       0.312                  0.945                  4.754
 ROA1   Fr= 1--      -3.005                 14.328                -21.043
 CID1   Fr= 1--      -9.633                 15.164                 -4.427
 Raman2 Fr= 1--       0.110                  0.315                  1.194
 ROA2   Fr= 1--      -1.230                  1.538                 -3.526
 CID2   Fr= 1--     -11.151                  4.886                 -2.954
 Raman3 Fr= 1--       0.221                  0.630                  2.387
 ROA3   Fr= 1--      -3.005                 14.328                -21.043
 CID3   Fr= 1--     -13.626                 22.755                 -8.815
 RC180  Fr= 1--       0.414                  0.333                  0.004
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.03   0.03    -0.14   0.14  -0.06    -0.19   0.05  -0.11
     2   6     0.01  -0.01  -0.04    -0.05  -0.05   0.02    -0.05  -0.02   0.12
     3   6     0.00  -0.03  -0.03    -0.01  -0.04   0.01     0.03  -0.02   0.00
     4   6    -0.00  -0.02  -0.02    -0.02   0.00   0.02     0.09  -0.01  -0.08
     5   8     0.05   0.03  -0.01    -0.08  -0.06   0.02     0.21   0.08  -0.06
     6   6    -0.01   0.06  -0.04    -0.09   0.07   0.02    -0.04  -0.07   0.14
     7   7    -0.03  -0.05   0.08     0.30  -0.08  -0.01    -0.10  -0.01   0.01
     8   8    -0.06  -0.02   0.03     0.05  -0.01  -0.01     0.06  -0.02  -0.02
     9   1     0.01   0.04  -0.03    -0.04  -0.06   0.01     0.17  -0.05   0.01
    10   1     0.04  -0.02  -0.03     0.02  -0.07   0.05    -0.06  -0.02   0.14
    11   1     0.05   0.05   0.04    -0.06  -0.11  -0.03     0.19   0.16   0.09
    12   1     0.25   0.03  -0.17     0.49   0.09  -0.03    -0.25  -0.10   0.08
    13   1    -0.43  -0.06  -0.00     0.33   0.00  -0.01    -0.07  -0.08   0.03
    14   1     0.35  -0.01  -0.13    -0.02   0.08  -0.05     0.01  -0.11   0.21
    15   1    -0.11   0.46  -0.01    -0.13   0.19   0.01    -0.06  -0.04   0.11
    16   1    -0.28  -0.20   0.03    -0.16   0.04   0.12    -0.10  -0.14   0.09
    17   1     0.09  -0.05   0.26    -0.24   0.13   0.04    -0.18   0.05  -0.12
    18   1    -0.01  -0.10  -0.12    -0.02   0.18  -0.25    -0.05   0.07  -0.39
    19   1     0.03   0.28   0.01    -0.28   0.29  -0.06    -0.51   0.14  -0.11
                     10                     11                     12
                      A                      A                      A
 Frequencies --    395.1781               465.4944               570.4598
 Red. masses --      2.3729                 4.0234                 2.2409
 Frc consts  --      0.2183                 0.5137                 0.4297
 IR Inten    --      1.8310                 7.8585                38.9588
 RamAct Fr= 1--      0.4511                 3.5681                 1.3253
  Dep-P Fr= 1--      0.3123                 0.1911                 0.7196
  Dep-U Fr= 1--      0.4759                 0.3209                 0.8370
 Alpha2 Fr= 1--      0.0045                 0.0496                 0.0007
 Beta2  Fr= 1--      0.0358                 0.1908                 0.1849
 AlphaG Fr= 1--     -0.0230                 0.0320                 0.0124
 Gamma2 Fr= 1--      0.0846                 0.6291                -1.1870
 Delta2 Fr= 1--     -0.0620                -0.0382                 0.1638
 Raman1 Fr= 1--       1.804                 14.272                  5.301
 ROA1   Fr= 1--       6.138                 59.173               -108.714
 CID1   Fr= 1--       3.402                  4.146                -20.508
 Raman2 Fr= 1--       0.429                  2.290                  2.218
 ROA2   Fr= 1--       2.527                 15.405                -29.799
 CID2   Fr= 1--       5.886                  6.727                -13.433
 Raman3 Fr= 1--       0.859                  4.580                  4.437
 ROA3   Fr= 1--       6.138                 59.173               -108.714
 CID3   Fr= 1--       7.149                 12.919                -24.503
 RC180  Fr= 1--      -0.048                 -0.358                  0.674
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.12  -0.00   0.16    -0.05   0.00   0.05    -0.05  -0.01   0.03
     2   6    -0.15  -0.03  -0.02    -0.03  -0.19  -0.08    -0.04  -0.00  -0.04
     3   6    -0.06   0.05  -0.09    -0.01  -0.12   0.05    -0.00   0.02   0.14
     4   6    -0.03   0.03  -0.09     0.08   0.07   0.14     0.05  -0.15   0.09
     5   8     0.06   0.00  -0.02    -0.04   0.09   0.07     0.11  -0.01  -0.03
     6   6     0.15   0.01  -0.04    -0.01   0.05  -0.11    -0.01   0.01  -0.07
     7   7     0.04  -0.00   0.01    -0.13  -0.11  -0.03     0.03   0.11   0.00
     8   8     0.02  -0.05   0.02     0.23   0.14  -0.08    -0.06  -0.06  -0.05
     9   1     0.01   0.08  -0.08    -0.16  -0.16   0.04    -0.11   0.06   0.13
    10   1    -0.18  -0.03  -0.01    -0.02  -0.19  -0.08    -0.10   0.03  -0.08
    11   1     0.15  -0.07   0.20    -0.13   0.18  -0.14    -0.32   0.54  -0.51
    12   1     0.07   0.10   0.10    -0.30  -0.28  -0.03     0.03   0.04  -0.09
    13   1     0.10  -0.09   0.03    -0.13  -0.09  -0.03     0.13   0.32  -0.00
    14   1     0.20   0.04  -0.17    -0.01   0.16  -0.39    -0.01   0.05  -0.16
    15   1     0.32  -0.07   0.28     0.00   0.17  -0.01     0.00   0.05  -0.03
    16   1     0.34   0.10  -0.26     0.01   0.16   0.08     0.01   0.06  -0.04
    17   1    -0.23  -0.00   0.26    -0.28   0.01   0.22    -0.10  -0.01   0.06
    18   1    -0.16   0.03   0.30     0.03   0.10   0.07    -0.06   0.01   0.08
    19   1     0.10   0.05   0.15     0.09   0.15   0.05     0.02   0.01   0.03
                     13                     14                     15
                      A                      A                      A
 Frequencies --    610.1755               652.1450               720.2142
 Red. masses --      2.7240                 1.7119                 2.8649
 Frc consts  --      0.5975                 0.4290                 0.8755
 IR Inten    --     26.0524                61.8391                41.4201
 RamAct Fr= 1--      0.4801                 2.6804                11.8249
  Dep-P Fr= 1--      0.7422                 0.1026                 0.0579
  Dep-U Fr= 1--      0.8520                 0.1861                 0.1095
 Alpha2 Fr= 1--      0.0001                 0.0466                 0.2292
 Beta2  Fr= 1--      0.0682                 0.0831                 0.2158
 AlphaG Fr= 1--     -0.0006                 0.0430                 0.1592
 Gamma2 Fr= 1--      0.4481                -0.0846                -0.8380
 Delta2 Fr= 1--      0.2784                 0.0025                 0.1156
 Raman1 Fr= 1--       1.920                 10.722                 47.300
 ROA1   Fr= 1--      51.929                 -8.044                -76.754
 CID1   Fr= 1--      27.039                 -0.750                 -1.623
 Raman2 Fr= 1--       0.818                  0.997                  2.590
 ROA2   Fr= 1--       8.528                 -2.051                -21.038
 CID2   Fr= 1--      10.423                 -2.056                 -8.122
 Raman3 Fr= 1--       1.636                  1.995                  5.180
 ROA3   Fr= 1--      51.929                 -8.044                -76.754
 CID3   Fr= 1--      31.735                 -4.033                -14.817
 RC180  Fr= 1--       0.704                 -0.628                 -0.781
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.01  -0.01     0.04  -0.00  -0.01    -0.09   0.00   0.04
     2   6    -0.04   0.21   0.01     0.03  -0.05  -0.01    -0.05   0.15  -0.01
     3   6    -0.14  -0.04  -0.03    -0.05  -0.01   0.12     0.06  -0.05   0.08
     4   6    -0.07  -0.06   0.05    -0.07  -0.06   0.00     0.18  -0.06   0.15
     5   8     0.03   0.10   0.06    -0.00   0.09  -0.03    -0.00  -0.03  -0.14
     6   6     0.00   0.01   0.02    -0.00  -0.00  -0.02    -0.01   0.03  -0.09
     7   7     0.02  -0.15  -0.00     0.01   0.06  -0.00     0.00  -0.08  -0.01
     8   8     0.11  -0.04  -0.10     0.02  -0.06  -0.09    -0.06   0.11   0.01
     9   1    -0.24  -0.09  -0.03    -0.05   0.02   0.12    -0.06  -0.10   0.07
    10   1     0.07   0.15   0.07     0.02  -0.04  -0.04    -0.03   0.14  -0.00
    11   1    -0.18   0.44   0.06     0.31  -0.17   0.82     0.39  -0.57   0.25
    12   1     0.28   0.08  -0.03     0.00   0.01  -0.05     0.02  -0.12  -0.08
    13   1     0.01  -0.15  -0.01     0.15   0.24   0.01    -0.00   0.01  -0.02
    14   1     0.05  -0.12   0.30    -0.04   0.05  -0.11     0.03  -0.05   0.08
    15   1     0.03  -0.13  -0.00    -0.04   0.07  -0.06     0.02  -0.07  -0.07
    16   1    -0.00  -0.12  -0.24    -0.03   0.04   0.13    -0.00  -0.05  -0.30
    17   1     0.32  -0.03  -0.12    -0.01   0.01   0.01     0.10  -0.03  -0.03
    18   1    -0.18  -0.18   0.10     0.06   0.03  -0.01    -0.25  -0.13   0.13
    19   1     0.06  -0.15   0.00     0.06   0.02  -0.01    -0.06  -0.11   0.05
                     16                     17                     18
                      A                      A                      A
 Frequencies --    821.9905               834.1573               901.4464
 Red. masses --      2.0755                 3.3812                 2.1094
 Frc consts  --      0.8263                 1.3862                 1.0099
 IR Inten    --    105.5367                 4.2802                63.8798
 RamAct Fr= 1--      0.5506                 5.9987                 0.7240
  Dep-P Fr= 1--      0.7437                 0.0539                 0.6131
  Dep-U Fr= 1--      0.8530                 0.1022                 0.7601
 Alpha2 Fr= 1--      0.0001                 0.1174                 0.0018
 Beta2  Fr= 1--      0.0783                 0.1022                 0.0917
 AlphaG Fr= 1--     -0.0022                -0.0935                -0.0012
 Gamma2 Fr= 1--     -0.1573                 0.1926                -0.1181
 Delta2 Fr= 1--      0.0654                 0.0848                -0.0293
 Raman1 Fr= 1--       2.203                 23.995                  2.896
 ROA1   Fr= 1--     -13.010                 21.203                -12.272
 CID1   Fr= 1--      -5.907                  0.884                 -4.238
 Raman2 Fr= 1--       0.939                  1.227                  1.101
 ROA2   Fr= 1--      -4.299                  3.944                 -2.599
 CID2   Fr= 1--      -4.576                  3.215                 -2.361
 Raman3 Fr= 1--       1.879                  2.453                  2.201
 ROA3   Fr= 1--     -13.010                 21.203                -12.272
 CID3   Fr= 1--      -6.925                  8.643                 -5.575
 RC180  Fr= 1--       0.706                 -0.796                  0.520
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.01  -0.04     0.07  -0.02  -0.05    -0.07  -0.06   0.07
     2   6    -0.01  -0.04  -0.02    -0.03  -0.08  -0.08     0.10   0.00   0.05
     3   6    -0.15   0.03   0.07    -0.08   0.07  -0.20     0.11   0.08  -0.09
     4   6     0.02   0.08  -0.03     0.12  -0.15   0.22     0.03  -0.07   0.04
     5   8     0.08  -0.06  -0.07    -0.02   0.03  -0.06    -0.06   0.05   0.05
     6   6    -0.00  -0.01   0.05    -0.01  -0.02   0.19     0.03   0.02  -0.08
     7   7    -0.11  -0.10  -0.01     0.01   0.07   0.01    -0.11  -0.05   0.00
     8   8     0.01   0.05   0.05    -0.03   0.04  -0.06    -0.01  -0.03  -0.03
     9   1    -0.16   0.06   0.07    -0.43   0.11  -0.22     0.17   0.10  -0.09
    10   1    -0.03  -0.02  -0.04    -0.09  -0.09  -0.01    -0.02   0.01   0.11
    11   1     0.10  -0.14  -0.20     0.06  -0.07   0.10    -0.05   0.05   0.07
    12   1     0.45   0.33  -0.13     0.08   0.26   0.15     0.42   0.40  -0.05
    13   1     0.55   0.32   0.06    -0.14  -0.24   0.01     0.43   0.09   0.07
    14   1    -0.01   0.03  -0.03     0.04  -0.00   0.11    -0.04  -0.03   0.07
    15   1    -0.01   0.04   0.07     0.06  -0.01   0.37    -0.04  -0.04  -0.28
    16   1     0.00   0.04   0.15     0.05   0.02   0.14    -0.04  -0.04  -0.03
    17   1     0.04   0.00   0.01    -0.18   0.01   0.08    -0.25   0.00   0.03
    18   1     0.06   0.02   0.00     0.21   0.14  -0.07     0.14   0.10  -0.12
    19   1     0.15   0.04  -0.04     0.15   0.15  -0.06    -0.31   0.02   0.07
                     19                     20                     21
                      A                      A                      A
 Frequencies --    939.5196               950.7170               974.6172
 Red. masses --      1.2931                 1.9895                 1.5450
 Frc consts  --      0.6725                 1.0595                 0.8646
 IR Inten    --     13.5562                 8.9767                 3.6334
 RamAct Fr= 1--      1.2121                 4.0247                 1.7278
  Dep-P Fr= 1--      0.4907                 0.6889                 0.7279
  Dep-U Fr= 1--      0.6583                 0.8158                 0.8425
 Alpha2 Fr= 1--      0.0062                 0.0043                 0.0007
 Beta2  Fr= 1--      0.1330                 0.5472                 0.2426
 AlphaG Fr= 1--     -0.0081                -0.0028                -0.0039
 Gamma2 Fr= 1--      0.6970                 0.3685                 0.1587
 Delta2 Fr= 1--      0.3870                -0.0909                 0.1238
 Raman1 Fr= 1--       4.849                 16.099                  6.911
 ROA1   Fr= 1--      79.297                 32.465                 19.196
 CID1   Fr= 1--      16.355                  2.017                  2.778
 Raman2 Fr= 1--       1.596                  6.567                  2.911
 ROA2   Fr= 1--      13.632                  9.570                  2.817
 CID2   Fr= 1--       8.541                  1.457                  0.968
 Raman3 Fr= 1--       3.192                 13.133                  5.823
 ROA3   Fr= 1--      79.297                 32.465                 19.196
 CID3   Fr= 1--      24.842                  2.472                  3.297
 RC180  Fr= 1--       0.317                  0.632                  0.685
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.05   0.03     0.05  -0.01  -0.10    -0.12   0.04  -0.02
     2   6    -0.05   0.00   0.01    -0.11   0.03  -0.07     0.04   0.02  -0.09
     3   6     0.06   0.02  -0.01     0.17   0.03   0.05     0.04   0.02  -0.01
     4   6     0.01  -0.02   0.01     0.01  -0.02  -0.03     0.01  -0.01  -0.01
     5   8    -0.02   0.02   0.02    -0.04   0.03   0.05    -0.02   0.01   0.02
     6   6    -0.07  -0.06   0.01    -0.04   0.03   0.07     0.07  -0.05   0.09
     7   7    -0.02  -0.03  -0.00    -0.03  -0.08  -0.01    -0.01  -0.02  -0.01
     8   8    -0.01  -0.01  -0.01    -0.01  -0.03  -0.01    -0.01  -0.01  -0.01
     9   1     0.13   0.04  -0.01     0.27   0.13   0.05     0.08   0.05  -0.01
    10   1     0.06   0.10  -0.33    -0.40   0.07   0.03     0.11   0.07  -0.28
    11   1    -0.02   0.01   0.02    -0.03   0.03   0.05    -0.01   0.00   0.01
    12   1     0.06   0.02  -0.04     0.01  -0.17  -0.16     0.03   0.01  -0.01
    13   1     0.09   0.03   0.01     0.14   0.15  -0.01     0.04  -0.00   0.00
    14   1     0.11   0.09  -0.46     0.05  -0.05   0.20    -0.14   0.09  -0.08
    15   1     0.10   0.13   0.48     0.05  -0.08   0.21    -0.09   0.14  -0.15
    16   1     0.16   0.16  -0.02     0.03  -0.02  -0.20    -0.04   0.06   0.57
    17   1     0.30   0.06  -0.25    -0.22  -0.02   0.21     0.15  -0.06   0.07
    18   1     0.01  -0.08  -0.14     0.06   0.13   0.12    -0.46  -0.20   0.28
    19   1    -0.27  -0.17   0.04     0.46   0.25  -0.12     0.23  -0.09  -0.02
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1066.4707              1092.5092              1160.7584
 Red. masses --      1.5746                 1.6258                 2.3788
 Frc consts  --      1.0552                 1.1433                 1.8884
 IR Inten    --     41.5288                20.3666               134.9912
 RamAct Fr= 1--      4.0666                 3.6358                 0.6614
  Dep-P Fr= 1--      0.3841                 0.5674                 0.3733
  Dep-U Fr= 1--      0.5550                 0.7240                 0.5437
 Alpha2 Fr= 1--      0.0319                 0.0126                 0.0054
 Beta2  Fr= 1--      0.3762                 0.4387                 0.0599
 AlphaG Fr= 1--     -0.0299                -0.0154                 0.0064
 Gamma2 Fr= 1--      0.3523                -1.0953                -0.3045
 Delta2 Fr= 1--      0.4979                -0.5250                -0.5283
 Raman1 Fr= 1--      16.266                 14.543                  2.646
 ROA1   Fr= 1--      49.758               -121.948                -46.135
 CID1   Fr= 1--       3.059                 -8.385                -17.438
 Raman2 Fr= 1--       4.514                  5.265                  0.719
 ROA2   Fr= 1--       4.473                -22.086                 -3.081
 CID2   Fr= 1--       0.991                 -4.195                 -4.284
 Raman3 Fr= 1--       9.028                 10.529                  1.438
 ROA3   Fr= 1--      49.758               -121.948                -46.135
 CID3   Fr= 1--       5.511                -11.582                -32.074
 RC180  Fr= 1--       0.110                  0.448                  0.087
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.05  -0.00    -0.03  -0.05   0.09     0.04   0.04   0.01
     2   6     0.03  -0.08  -0.06     0.07   0.02  -0.13    -0.06  -0.05   0.05
     3   6     0.03  -0.11  -0.04     0.01   0.07   0.03    -0.12   0.08   0.02
     4   6     0.02   0.00  -0.03    -0.04   0.02  -0.01     0.17  -0.06  -0.08
     5   8    -0.02   0.03   0.03     0.01  -0.02  -0.02    -0.05   0.12   0.11
     6   6    -0.05   0.06   0.03     0.00   0.03   0.07     0.04  -0.00  -0.03
     7   7    -0.03   0.07   0.05     0.03  -0.08  -0.01     0.04  -0.05  -0.01
     8   8     0.00  -0.01  -0.00     0.00   0.00   0.01    -0.04  -0.06  -0.03
     9   1    -0.07   0.16  -0.05    -0.35   0.50  -0.00    -0.02   0.33   0.02
    10   1     0.45  -0.25   0.12     0.10   0.04  -0.20    -0.06  -0.08   0.17
    11   1     0.03  -0.08  -0.07    -0.02   0.07   0.07     0.21  -0.49  -0.48
    12   1     0.05   0.03  -0.10    -0.18  -0.40  -0.16    -0.15  -0.27  -0.07
    13   1     0.19   0.34   0.06    -0.05   0.16  -0.05    -0.07   0.13  -0.04
    14   1     0.13  -0.09   0.25     0.03  -0.02   0.18    -0.08   0.01   0.02
    15   1     0.08  -0.14   0.19     0.02  -0.04   0.07    -0.04   0.01  -0.20
    16   1     0.01  -0.07  -0.39     0.00  -0.02  -0.01    -0.06  -0.04   0.10
    17   1     0.20  -0.02  -0.03    -0.16   0.02  -0.07     0.16   0.03  -0.08
    18   1    -0.26  -0.16   0.09     0.16   0.05  -0.16     0.02  -0.02  -0.05
    19   1     0.04  -0.12   0.00    -0.36  -0.04   0.09    -0.02  -0.05   0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1173.5198              1209.7981              1230.6545
 Red. masses --      2.0171                 2.1235                 1.7620
 Frc consts  --      1.6366                 1.8311                 1.5723
 IR Inten    --     68.2642                 4.4973                10.5687
 RamAct Fr= 1--      3.8048                 1.9098                 1.9046
  Dep-P Fr= 1--      0.6048                 0.5718                 0.4091
  Dep-U Fr= 1--      0.7537                 0.7276                 0.5807
 Alpha2 Fr= 1--      0.0102                 0.0064                 0.0137
 Beta2  Fr= 1--      0.4779                 0.2316                 0.1843
 AlphaG Fr= 1--      0.0009                -0.0091                 0.0131
 Gamma2 Fr= 1--      0.0858                -0.3552                -0.5265
 Delta2 Fr= 1--      0.3026                 0.2122                -0.3910
 Raman1 Fr= 1--      15.219                  7.639                  7.618
 ROA1   Fr= 1--      17.924                -27.308                -63.059
 CID1   Fr= 1--       1.178                 -3.575                 -8.277
 Raman2 Fr= 1--       5.735                  2.779                  2.212
 ROA2   Fr= 1--      -0.361                -10.222                 -9.509
 CID2   Fr= 1--      -0.063                 -3.678                 -4.299
 Raman3 Fr= 1--      11.471                  5.558                  4.424
 ROA3   Fr= 1--      17.924                -27.308                -63.059
 CID3   Fr= 1--       1.563                 -4.913                -14.254
 RC180  Fr= 1--       0.507                  0.455                  0.161
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.11   0.01    -0.08  -0.03  -0.09     0.01  -0.04  -0.03
     2   6     0.09   0.13  -0.08     0.17   0.00   0.11    -0.03   0.12   0.07
     3   6    -0.04  -0.12   0.05    -0.05   0.14   0.03    -0.01  -0.11  -0.12
     4   6     0.04   0.01  -0.08     0.02  -0.01  -0.01    -0.03   0.00   0.03
     5   8    -0.01   0.07   0.06    -0.00  -0.01  -0.01     0.00  -0.01  -0.01
     6   6    -0.05  -0.02   0.04    -0.11  -0.04  -0.04     0.01  -0.09  -0.02
     7   7     0.00   0.06   0.01     0.01  -0.06  -0.04     0.01   0.02   0.07
     8   8    -0.01  -0.03  -0.01    -0.01  -0.00   0.00     0.01   0.02   0.00
     9   1    -0.09  -0.36   0.04    -0.09   0.20   0.04    -0.05   0.34  -0.13
    10   1     0.05   0.21  -0.29     0.32  -0.06   0.22     0.09   0.01   0.29
    11   1     0.16  -0.34  -0.31    -0.03   0.06   0.06    -0.01   0.01   0.01
    12   1     0.08   0.20   0.10    -0.05  -0.05   0.04    -0.10  -0.32  -0.20
    13   1    -0.01  -0.06   0.02    -0.10  -0.17  -0.05     0.15   0.52   0.04
    14   1     0.07   0.01  -0.10     0.19  -0.01  -0.29    -0.08   0.06  -0.32
    15   1     0.03   0.06   0.24     0.06   0.01   0.32    -0.05   0.17  -0.00
    16   1     0.09   0.09  -0.03     0.14   0.11  -0.26     0.06   0.07   0.19
    17   1    -0.40  -0.03   0.12    -0.12  -0.11   0.27    -0.15  -0.02   0.08
    18   1     0.17   0.13  -0.01    -0.18   0.02   0.25     0.08   0.09   0.04
    19   1    -0.08   0.15   0.00     0.32   0.09  -0.09     0.08   0.14  -0.04
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1296.8328              1345.4981              1368.8359
 Red. masses --      1.2772                 2.2696                 1.4151
 Frc consts  --      1.2656                 2.4209                 1.5622
 IR Inten    --      0.8412                28.0251                 3.7505
 RamAct Fr= 1--      3.4244                 3.1500                 5.5737
  Dep-P Fr= 1--      0.6880                 0.6777                 0.5893
  Dep-U Fr= 1--      0.8152                 0.8079                 0.7416
 Alpha2 Fr= 1--      0.0037                 0.0040                 0.0167
 Beta2  Fr= 1--      0.4652                 0.4242                 0.6889
 AlphaG Fr= 1--     -0.0078                -0.0037                 0.0649
 Gamma2 Fr= 1--     -0.1218                 0.6547                -0.3047
 Delta2 Fr= 1--     -0.5412                 0.1885                -1.0904
 Raman1 Fr= 1--      13.697                 12.600                 22.295
 ROA1   Fr= 1--     -29.005                 68.886                -64.146
 CID1   Fr= 1--      -2.118                  5.467                 -2.877
 Raman2 Fr= 1--       5.583                  5.090                  8.267
 ROA2   Fr= 1--       1.407                 14.206                  1.410
 CID2   Fr= 1--       0.252                  2.791                  0.171
 Raman3 Fr= 1--      11.166                 10.180                 16.534
 ROA3   Fr= 1--     -29.005                 68.886                -64.146
 CID3   Fr= 1--      -2.598                  6.767                 -3.880
 RC180  Fr= 1--       0.630                  0.616                  0.483
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.03   0.00     0.02  -0.02   0.01     0.02  -0.05  -0.00
     2   6     0.01  -0.00  -0.02    -0.05   0.03  -0.03    -0.13   0.04  -0.03
     3   6    -0.13   0.02  -0.03    -0.04  -0.03   0.04     0.06   0.04   0.06
     4   6     0.02  -0.03   0.04     0.22  -0.05  -0.18    -0.04   0.00   0.02
     5   8    -0.01  -0.01  -0.01    -0.08  -0.04   0.02     0.02   0.01  -0.00
     6   6    -0.00   0.03   0.01     0.01  -0.02   0.01     0.03  -0.02  -0.01
     7   7     0.02  -0.01   0.01    -0.00   0.01  -0.00    -0.01  -0.00  -0.04
     8   8     0.00   0.03   0.01    -0.02   0.06   0.05     0.00  -0.01  -0.01
     9   1     0.85  -0.03   0.04    -0.19  -0.07   0.02     0.04   0.11   0.06
    10   1     0.26   0.03  -0.29     0.17  -0.09   0.16     0.80  -0.26   0.18
    11   1    -0.05   0.09   0.07    -0.31   0.57   0.58     0.06  -0.10  -0.10
    12   1    -0.07  -0.12  -0.03     0.04   0.08   0.03     0.06   0.15   0.07
    13   1    -0.00   0.16  -0.00     0.02  -0.00   0.00    -0.04  -0.26  -0.02
    14   1     0.02  -0.02   0.12    -0.06   0.02  -0.05    -0.12   0.01   0.01
    15   1     0.03  -0.04   0.03    -0.04   0.07  -0.04    -0.00   0.09   0.01
    16   1    -0.03  -0.02  -0.03     0.02   0.00   0.03    -0.04  -0.02   0.12
    17   1    -0.09  -0.01   0.01    -0.06   0.02  -0.04    -0.10   0.00  -0.05
    18   1     0.07   0.04  -0.03     0.05   0.00  -0.02     0.11   0.06  -0.02
    19   1     0.01   0.04  -0.01    -0.05   0.04   0.01     0.00   0.14  -0.02
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1375.8114              1402.7931              1404.3504
 Red. masses --      1.3525                 1.2654                 1.2767
 Frc consts  --      1.5084                 1.4671                 1.4836
 IR Inten    --      0.9763                 8.7544                 7.9470
 RamAct Fr= 1--      3.2057                 2.9781                 0.1119
  Dep-P Fr= 1--      0.7038                 0.4424                 0.7106
  Dep-U Fr= 1--      0.8262                 0.6134                 0.8308
 Alpha2 Fr= 1--      0.0026                 0.0188                 0.0001
 Beta2  Fr= 1--      0.4414                 0.3045                 0.0155
 AlphaG Fr= 1--     -0.0019                 0.0143                -0.0000
 Gamma2 Fr= 1--     -1.0624                 1.0051                 0.0064
 Delta2 Fr= 1--      0.1929                 0.0160                -0.0257
 Raman1 Fr= 1--      12.823                 11.912                  0.448
 ROA1   Fr= 1--     -95.814                 97.004                 -0.212
 CID1   Fr= 1--      -7.472                  8.143                 -0.474
 Raman2 Fr= 1--       5.297                  3.654                  0.186
 ROA2   Fr= 1--     -27.040                 23.994                  0.358
 CID2   Fr= 1--      -5.105                  6.567                  1.927
 Raman3 Fr= 1--      10.594                  7.307                  0.372
 ROA3   Fr= 1--     -95.814                 97.004                 -0.212
 CID3   Fr= 1--      -9.044                 13.275                 -0.571
 RC180  Fr= 1--       0.652                  0.227                  0.662
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03   0.04    -0.00   0.00  -0.00    -0.10  -0.02   0.06
     2   6     0.05   0.03  -0.14     0.00   0.00   0.03     0.02   0.01  -0.05
     3   6    -0.03  -0.01   0.03    -0.01  -0.12   0.03    -0.00   0.03   0.00
     4   6    -0.01  -0.00   0.02    -0.00  -0.01   0.00    -0.01   0.00   0.00
     5   8     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.03  -0.05  -0.01     0.01   0.01   0.05    -0.00  -0.01   0.08
     7   7     0.00   0.00  -0.02    -0.00   0.02  -0.06     0.00  -0.00   0.01
     8   8     0.00   0.00  -0.00     0.01   0.02   0.01    -0.00  -0.00  -0.00
     9   1     0.36   0.11   0.06     0.15   0.76   0.04     0.05  -0.18   0.01
    10   1    -0.29  -0.17   0.71    -0.13   0.10  -0.16    -0.02  -0.07   0.20
    11   1     0.01  -0.02  -0.02    -0.01   0.01   0.01     0.01  -0.01  -0.01
    12   1     0.02   0.08   0.05     0.07   0.28   0.18    -0.01  -0.04  -0.02
    13   1    -0.04  -0.11  -0.01    -0.08  -0.24  -0.04     0.01   0.04   0.01
    14   1     0.03  -0.05  -0.01    -0.01   0.10  -0.19     0.04   0.11  -0.29
    15   1     0.03   0.09   0.20    -0.08  -0.05  -0.20    -0.14  -0.01  -0.24
    16   1     0.06   0.11   0.15     0.01  -0.09  -0.21     0.10  -0.05  -0.25
    17   1    -0.06   0.07  -0.05     0.03  -0.01   0.01     0.41  -0.05  -0.27
    18   1    -0.11  -0.15  -0.05     0.01   0.02   0.00     0.30   0.25  -0.27
    19   1    -0.16  -0.10   0.04     0.03   0.00  -0.00     0.40   0.12   0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1425.3728              1487.7672              1495.4253
 Red. masses --      1.2457                 1.0409                 1.0504
 Frc consts  --      1.4912                 1.3574                 1.3840
 IR Inten    --      5.6415                 1.4044                 2.7627
 RamAct Fr= 1--      0.2172                 7.3915                 1.6552
  Dep-P Fr= 1--      0.6979                 0.7488                 0.7094
  Dep-U Fr= 1--      0.8221                 0.8563                 0.8300
 Alpha2 Fr= 1--      0.0002                 0.0002                 0.0012
 Beta2  Fr= 1--      0.0298                 1.0550                 0.2290
 AlphaG Fr= 1--     -0.0002                 0.0019                 0.0035
 Gamma2 Fr= 1--     -0.1599                -0.0359                 0.2303
 Delta2 Fr= 1--      0.1376                -0.3169                 0.1293
 Raman1 Fr= 1--       0.869                 29.566                  6.621
 ROA1   Fr= 1--     -10.945                -13.584                 26.245
 CID1   Fr= 1--     -12.595                 -0.459                  3.964
 Raman2 Fr= 1--       0.357                 12.659                  2.748
 ROA2   Fr= 1--      -4.938                  1.675                  4.493
 CID2   Fr= 1--     -13.825                  0.132                  1.635
 Raman3 Fr= 1--       0.714                 25.319                  5.495
 ROA3   Fr= 1--     -10.945                -13.584                 26.245
 CID3   Fr= 1--     -15.321                 -0.537                  4.776
 RC180  Fr= 1--       0.644                  0.713                  0.660
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08  -0.02   0.02    -0.01   0.04   0.01    -0.01  -0.00  -0.04
     2   6     0.01  -0.00   0.02    -0.00  -0.00   0.02     0.01  -0.01  -0.03
     3   6    -0.00  -0.05   0.01     0.00  -0.00   0.00    -0.00   0.00   0.00
     4   6     0.01  -0.00  -0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   8    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     6   6    -0.01   0.00  -0.11     0.01  -0.03  -0.00     0.03  -0.02   0.01
     7   7    -0.00   0.01  -0.01     0.00  -0.00  -0.00     0.00  -0.00   0.00
     8   8     0.00   0.01   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     9   1    -0.03   0.22   0.00    -0.02   0.01   0.00     0.04  -0.04   0.00
    10   1    -0.08   0.05  -0.07     0.04   0.02  -0.08    -0.04  -0.02   0.04
    11   1    -0.01   0.02   0.02     0.00  -0.01  -0.00     0.00  -0.00  -0.00
    12   1     0.03   0.07   0.03    -0.00   0.00   0.01    -0.00   0.01   0.02
    13   1    -0.02  -0.07  -0.01    -0.01  -0.01  -0.00    -0.01   0.01  -0.00
    14   1    -0.01  -0.19   0.41    -0.19  -0.05   0.22    -0.36   0.07   0.08
    15   1     0.19   0.05   0.38    -0.14   0.44  -0.03    -0.03   0.32   0.11
    16   1    -0.09   0.14   0.39     0.25   0.15  -0.19     0.03  -0.10  -0.21
    17   1     0.33  -0.08  -0.12    -0.21   0.02   0.20     0.34  -0.20   0.36
    18   1     0.22   0.23  -0.13     0.04  -0.17  -0.44     0.16   0.37   0.31
    19   1     0.29   0.08   0.00     0.28  -0.42   0.02    -0.34  -0.12  -0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1507.9898              1514.4094              1671.0791
 Red. masses --      1.0434                 1.0566                 1.0909
 Frc consts  --      1.3980                 1.4277                 1.7948
 IR Inten    --      9.4953                 7.1834                39.1632
 RamAct Fr= 1--      2.3042                 3.7239                 2.1707
  Dep-P Fr= 1--      0.7459                 0.7460                 0.5766
  Dep-U Fr= 1--      0.8545                 0.8545                 0.7314
 Alpha2 Fr= 1--      0.0002                 0.0003                 0.0071
 Beta2  Fr= 1--      0.3281                 0.5304                 0.2646
 AlphaG Fr= 1--      0.0020                -0.0008                -0.0065
 Gamma2 Fr= 1--     -0.1207                -0.4819                -0.1716
 Delta2 Fr= 1--      0.3035                -0.0751                 0.1801
 Raman1 Fr= 1--       9.217                 14.896                  8.683
 ROA1   Fr= 1--      -1.871                -48.668                -10.713
 CID1   Fr= 1--      -0.203                 -3.267                 -1.234
 Raman2 Fr= 1--       3.938                  6.364                  3.175
 ROA2   Fr= 1--      -5.324                -10.966                 -5.560
 CID2   Fr= 1--      -1.352                 -1.723                 -1.751
 Raman3 Fr= 1--       7.876                 12.729                  6.351
 ROA3   Fr= 1--      -1.871                -48.668                -10.713
 CID3   Fr= 1--      -0.238                 -3.823                 -1.687
 RC180  Fr= 1--       0.709                  0.709                  0.463
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.02   0.00    -0.00   0.02  -0.02    -0.00   0.00   0.00
     2   6    -0.01  -0.03   0.01    -0.04   0.02  -0.02    -0.01  -0.00  -0.00
     3   6    -0.00  -0.00  -0.00     0.00  -0.01   0.00     0.03   0.01  -0.01
     4   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.01   0.00   0.00
     5   8     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.02  -0.03   0.00    -0.04   0.00   0.01    -0.00   0.00  -0.00
     7   7    -0.00   0.00   0.00    -0.00   0.01   0.00     0.02  -0.07  -0.03
     8   8     0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     9   1     0.01   0.03  -0.00     0.01   0.01   0.00    -0.02  -0.05  -0.01
    10   1    -0.03  -0.00  -0.07     0.07  -0.02   0.02     0.02  -0.02   0.02
    11   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    12   1     0.01  -0.00  -0.02     0.01  -0.01  -0.03    -0.12   0.33   0.59
    13   1    -0.01  -0.02   0.00     0.01  -0.04   0.01    -0.33   0.61  -0.14
    14   1     0.18  -0.18   0.26     0.53  -0.14  -0.02     0.04  -0.03   0.02
    15   1    -0.22   0.32  -0.23    -0.07  -0.25  -0.27    -0.00  -0.01  -0.01
    16   1     0.41   0.37  -0.09     0.15   0.28   0.22     0.02   0.03   0.03
    17   1     0.07   0.05  -0.28     0.12  -0.13   0.40     0.00  -0.00  -0.00
    18   1    -0.10   0.00   0.27     0.17   0.20  -0.03     0.00   0.00  -0.00
    19   1    -0.13   0.38  -0.02    -0.11  -0.35   0.01    -0.00  -0.00   0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1802.5796              3030.0382              3034.7536
 Red. masses --      9.8702                 1.0356                 1.0364
 Frc consts  --     18.8958                 5.6021                 5.6238
 IR Inten    --    262.6337                32.6318                16.2757
 RamAct Fr= 1--     11.9587                30.5922               281.9025
  Dep-P Fr= 1--      0.1720                 0.0465                 0.0077
  Dep-U Fr= 1--      0.2935                 0.0889                 0.0153
 Alpha2 Fr= 1--      0.1748                 0.6093                 6.1529
 Beta2  Fr= 1--      0.5849                 0.4534                 0.7176
 AlphaG Fr= 1--     -0.0519                 0.0502                -0.1113
 Gamma2 Fr= 1--      0.7323                -1.4534                 0.9019
 Delta2 Fr= 1--     -1.0895                -1.2548                 0.8438
 Raman1 Fr= 1--      47.835                122.369               1127.610
 ROA1   Fr= 1--      35.432               -179.683                113.585
 CID1   Fr= 1--       0.741                 -1.468                  0.101
 Raman2 Fr= 1--       7.019                  5.441                  8.611
 ROA2   Fr= 1--      26.290                -24.843                 14.895
 CID2   Fr= 1--       3.746                 -4.566                  1.730
 Raman3 Fr= 1--      14.038                 10.881                 17.221
 ROA3   Fr= 1--      35.432               -179.683                113.585
 CID3   Fr= 1--       2.524                -16.513                  6.596
 RC180  Fr= 1--      -0.413                 -0.822                 -0.969
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.01   0.00     0.02   0.00  -0.01     0.04   0.00  -0.02
     2   6    -0.01   0.02  -0.01     0.00   0.01   0.00    -0.00   0.00   0.00
     3   6    -0.04  -0.05  -0.01     0.00  -0.00  -0.00    -0.00   0.00   0.01
     4   6     0.30   0.60   0.25     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   8    -0.02  -0.05  -0.02    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     6   6     0.00  -0.01   0.00     0.00  -0.01  -0.04    -0.00   0.00   0.02
     7   7    -0.01  -0.01  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     8   8    -0.16  -0.39  -0.18    -0.00  -0.00   0.00     0.00   0.00  -0.00
     9   1     0.11   0.12   0.01    -0.00   0.00   0.02     0.01  -0.00  -0.08
    10   1     0.05   0.01   0.01    -0.02  -0.09  -0.03    -0.00  -0.02  -0.01
    11   1    -0.17   0.32   0.32     0.00   0.00   0.00     0.00   0.00  -0.00
    12   1    -0.01   0.01   0.02    -0.00   0.00   0.00     0.00   0.00  -0.00
    13   1    -0.02  -0.01  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   1    -0.01   0.00  -0.00     0.15   0.51   0.19    -0.08  -0.26  -0.10
    15   1    -0.01   0.03  -0.00    -0.46  -0.14   0.20     0.26   0.08  -0.11
    16   1     0.01   0.01   0.01     0.29  -0.29   0.12    -0.15   0.15  -0.06
    17   1    -0.02  -0.00   0.01    -0.04  -0.20  -0.06    -0.09  -0.38  -0.11
    18   1     0.03   0.02  -0.01    -0.20   0.18  -0.10    -0.37   0.32  -0.18
    19   1    -0.00  -0.00   0.00     0.01   0.02   0.30     0.02   0.03   0.58
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3045.5919              3054.7955              3090.5210
 Red. masses --      1.0835                 1.0838                 1.1019
 Frc consts  --      5.9213                 5.9587                 6.2008
 IR Inten    --      2.1089                13.3465                24.9360
 RamAct Fr= 1--     57.8174               114.1142                53.0554
  Dep-P Fr= 1--      0.6102                 0.0741                 0.7458
  Dep-U Fr= 1--      0.7579                 0.1380                 0.8544
 Alpha2 Fr= 1--      0.1487                 2.1275                 0.0038
 Beta2  Fr= 1--      7.3035                 2.6250                 7.5551
 AlphaG Fr= 1--      0.0360                -0.1636                -0.0174
 Gamma2 Fr= 1--      4.8833                -7.1879                 4.9326
 Delta2 Fr= 1--      4.2292                -4.6671                 3.7963
 Raman1 Fr= 1--     231.270                456.457                212.221
 ROA1   Fr= 1--     604.129               -839.389                595.011
 CID1   Fr= 1--       2.612                 -1.839                  2.804
 Raman2 Fr= 1--      87.643                 31.500                 90.661
 ROA2   Fr= 1--      83.365               -135.173                 88.012
 CID2   Fr= 1--       0.951                 -4.291                  0.971
 Raman3 Fr= 1--     175.285                 63.000                181.323
 ROA3   Fr= 1--     604.129               -839.389                595.011
 CID3   Fr= 1--       3.447                -13.324                  3.282
 RC180  Fr= 1--       0.516                 -0.724                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01   0.00     0.01   0.00   0.00    -0.04   0.02  -0.07
     2   6    -0.02  -0.07  -0.02    -0.01  -0.02  -0.01    -0.00   0.00  -0.00
     3   6    -0.00  -0.00   0.03     0.01  -0.00  -0.08     0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   8     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     6   6     0.01   0.02  -0.01     0.00   0.01   0.00     0.03   0.01  -0.00
     7   7    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     8   8    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     9   1     0.03  -0.00  -0.33    -0.07   0.01   0.93    -0.00  -0.00   0.04
    10   1     0.21   0.83   0.29     0.07   0.29   0.10    -0.00  -0.01  -0.00
    11   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    12   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    13   1    -0.00  -0.00   0.01     0.01   0.00  -0.02    -0.00   0.00   0.00
    14   1    -0.02  -0.08  -0.03    -0.02  -0.07  -0.03    -0.03  -0.14  -0.06
    15   1    -0.14  -0.03   0.06    -0.01  -0.00   0.01    -0.27  -0.08   0.12
    16   1     0.09  -0.08   0.04     0.03  -0.02   0.01    -0.10   0.11  -0.05
    17   1    -0.03  -0.13  -0.04    -0.02  -0.09  -0.02     0.01   0.08   0.00
    18   1     0.01  -0.01   0.01    -0.04   0.04  -0.02     0.46  -0.40   0.20
    19   1    -0.00   0.00  -0.02    -0.00   0.00  -0.00     0.01   0.04   0.65
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3091.8408              3096.4634              3111.8500
 Red. masses --      1.1013                 1.1006                 1.1005
 Frc consts  --      6.2031                 6.2173                 6.2787
 IR Inten    --     26.0084                33.4869                26.3683
 RamAct Fr= 1--     31.3675                82.0056                41.0138
  Dep-P Fr= 1--      0.6075                 0.5982                 0.7091
  Dep-U Fr= 1--      0.7558                 0.7486                 0.8298
 Alpha2 Fr= 1--      0.0824                 0.2308                 0.0291
 Beta2  Fr= 1--      3.9514                10.2317                 5.6720
 AlphaG Fr= 1--     -0.0998                 0.0358                -0.0541
 Gamma2 Fr= 1--     -5.0569                 4.5904                -3.5581
 Delta2 Fr= 1--     -4.7324                 6.2135                -3.4397
 Raman1 Fr= 1--     125.470                328.023                164.055
 ROA1   Fr= 1--    -636.895                639.508               -451.648
 CID1   Fr= 1--      -5.076                  1.950                 -2.753
 Raman2 Fr= 1--      47.417                122.780                 68.064
 ROA2   Fr= 1--     -83.505                 60.461                -57.876
 CID2   Fr= 1--      -1.761                  0.492                 -0.850
 Raman3 Fr= 1--      94.834                245.561                136.129
 ROA3   Fr= 1--    -636.895                639.508               -451.648
 CID3   Fr= 1--      -6.716                  2.604                 -3.318
 RC180  Fr= 1--       0.512                  0.497                  0.660
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02  -0.02    -0.01  -0.01  -0.02     0.00  -0.08  -0.03
     2   6    -0.00  -0.01  -0.01    -0.00   0.01   0.00    -0.00  -0.02  -0.01
     3   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     5   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     6   6    -0.05  -0.07   0.00    -0.07   0.05  -0.00     0.00  -0.01   0.00
     7   7     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     8   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     9   1    -0.00   0.00   0.02     0.00   0.00  -0.01    -0.00  -0.00   0.02
    10   1     0.04   0.16   0.06    -0.01  -0.06  -0.02     0.04   0.17   0.06
    11   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    13   1    -0.00   0.00  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   1     0.17   0.62   0.25    -0.08  -0.22  -0.09     0.03   0.11   0.05
    15   1     0.53   0.14  -0.24     0.35   0.12  -0.16     0.02   0.00  -0.01
    16   1    -0.10   0.07  -0.04     0.57  -0.56   0.26    -0.08   0.07  -0.03
    17   1    -0.03  -0.10  -0.04     0.03   0.13   0.03     0.20   0.80   0.22
    18   1     0.19  -0.16   0.09     0.09  -0.08   0.04    -0.26   0.21  -0.13
    19   1     0.00   0.02   0.17     0.00   0.01   0.18     0.01  -0.00   0.27
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3509.3280              3579.3258              3721.8114
 Red. masses --      1.0491                 1.0927                 1.0640
 Frc consts  --      7.6125                 8.2483                 8.6839
 IR Inten    --      1.6404                 4.6526                63.6087
 RamAct Fr= 1--    101.7988                37.4288               116.0733
  Dep-P Fr= 1--      0.0940                 0.6890                 0.2134
  Dep-U Fr= 1--      0.1718                 0.8159                 0.3517
 Alpha2 Fr= 1--      1.8088                 0.0400                 1.5209
 Beta2  Fr= 1--      2.9150                 5.0896                 6.8048
 AlphaG Fr= 1--      0.5056                 0.1263                 0.0924
 Gamma2 Fr= 1--      1.0364                 1.6592                 2.3072
 Delta2 Fr= 1--     -0.3257                 0.5479                -0.9245
 Raman1 Fr= 1--     407.195                149.715                464.293
 ROA1   Fr= 1--      89.070                176.818                191.906
 CID1   Fr= 1--       0.219                  1.181                  0.413
 Raman2 Fr= 1--      34.980                 61.075                 81.657
 ROA2   Fr= 1--      27.479                 35.437                 62.768
 CID2   Fr= 1--       0.786                  0.580                  0.769
 Raman3 Fr= 1--      69.960                122.150                163.315
 ROA3   Fr= 1--      89.070                176.818                191.906
 CID3   Fr= 1--       1.273                  1.448                  1.175
 RC180  Fr= 1--      -0.656                  0.632                 -0.297
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     4   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   8    -0.00   0.00   0.00     0.00   0.00   0.00    -0.05  -0.03   0.01
     6   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     7   7     0.04  -0.04  -0.02    -0.02   0.03  -0.07     0.00   0.00   0.00
     8   8     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     9   1    -0.00  -0.00   0.01    -0.00   0.00   0.02    -0.00   0.00   0.00
    10   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    11   1     0.00   0.00  -0.00     0.00   0.00   0.00     0.85   0.50  -0.16
    12   1    -0.42   0.44  -0.38     0.43  -0.43   0.34     0.00  -0.00   0.00
    13   1    -0.11   0.06   0.69    -0.14   0.07   0.69     0.00  -0.00  -0.00
    14   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    15   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    16   1     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    17   1     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    18   1    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    19   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  7 and mass  14.00307
 Atom     8 has atomic number  8 and mass  15.99491
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   117.07898 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   603.543841265.765451368.64540
           X            0.99960  -0.02748  -0.00642
           Y            0.02671   0.99479  -0.09838
           Z            0.00909   0.09817   0.99513
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.14351     0.06843     0.06328
 Rotational constants (GHZ):           2.99024     1.42581     1.31863
 Zero-point vibrational energy     431372.7 (Joules/Mol)
                                  103.10056 (Kcal/Mol)
 Warning -- explicit consideration of  13 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     56.45   110.16   255.98   306.35   316.84
          (Kelvin)            378.18   382.36   424.57   481.21   568.57
                              669.74   820.76   877.91   938.29  1036.23
                             1182.66  1200.17  1296.98  1351.76  1367.87
                             1402.26  1534.41  1571.88  1670.07  1688.43
                             1740.63  1770.64  1865.85  1935.87  1969.45
                             1979.49  2018.31  2020.55  2050.79  2140.57
                             2151.58  2169.66  2178.90  2404.31  2593.51
                             4359.55  4366.33  4381.93  4395.17  4446.57
                             4448.47  4455.12  4477.26  5049.14  5149.85
                             5354.86
 
 Zero-point correction=                           0.164301 (Hartree/Particle)
 Thermal correction to Energy=                    0.173844
 Thermal correction to Enthalpy=                  0.174788
 Thermal correction to Gibbs Free Energy=         0.129724
 Sum of electronic and zero-point Energies=           -402.405090
 Sum of electronic and thermal Energies=              -402.395547
 Sum of electronic and thermal Enthalpies=            -402.394603
 Sum of electronic and thermal Free Energies=         -402.439667
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  109.089             34.416             94.845
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.188
 Rotational               0.889              2.981             28.438
 Vibrational            107.311             28.455             26.219
 Vibration     1          0.594              1.981              5.297
 Vibration     2          0.599              1.965              3.977
 Vibration     3          0.628              1.870              2.350
 Vibration     4          0.644              1.821              2.018
 Vibration     5          0.647              1.810              1.957
 Vibration     6          0.670              1.741              1.643
 Vibration     7          0.672              1.736              1.624
 Vibration     8          0.689              1.683              1.445
 Vibration     9          0.716              1.607              1.238
 Vibration    10          0.762              1.480              0.981
 Vibration    11          0.823              1.327              0.750
 Vibration    12          0.927              1.095              0.503
 Vibration    13          0.969              1.010              0.432
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.214403D-59        -59.668770       -137.392420
 Total V=0       0.802542D+16         15.904468         36.621391
 Vib (Bot)       0.117635D-72        -72.929464       -167.926297
 Vib (Bot)    1  0.527386D+01          0.722128          1.662762
 Vib (Bot)    2  0.269118D+01          0.429943          0.989979
 Vib (Bot)    3  0.112972D+01          0.052970          0.121969
 Vib (Bot)    4  0.931708D+00         -0.030720         -0.070736
 Vib (Bot)    5  0.898162D+00         -0.046645         -0.107404
 Vib (Bot)    6  0.737907D+00         -0.131998         -0.303937
 Vib (Bot)    7  0.728779D+00         -0.137404         -0.316385
 Vib (Bot)    8  0.646244D+00         -0.189603         -0.436578
 Vib (Bot)    9  0.557114D+00         -0.254056         -0.584985
 Vib (Bot)   10  0.452613D+00         -0.344273         -0.792717
 Vib (Bot)   11  0.363727D+00         -0.439225         -1.011353
 Vib (Bot)   12  0.269669D+00         -0.569169         -1.310561
 Vib (Bot)   13  0.242151D+00         -0.615913         -1.418193
 Vib (V=0)       0.440325D+03          2.643774          6.087514
 Vib (V=0)    1  0.579751D+01          0.763241          1.757428
 Vib (V=0)    2  0.323723D+01          0.510174          1.174719
 Vib (V=0)    3  0.173542D+01          0.239405          0.551250
 Vib (V=0)    4  0.155739D+01          0.192398          0.443013
 Vib (V=0)    5  0.152796D+01          0.184111          0.423932
 Vib (V=0)    6  0.139135D+01          0.143437          0.330275
 Vib (V=0)    7  0.138381D+01          0.141076          0.324840
 Vib (V=0)    8  0.131709D+01          0.119615          0.275423
 Vib (V=0)    9  0.124858D+01          0.096417          0.222009
 Vib (V=0)   10  0.117443D+01          0.069828          0.160785
 Vib (V=0)   11  0.111830D+01          0.048559          0.111811
 Vib (V=0)   12  0.106809D+01          0.028606          0.065868
 Vib (V=0)   13  0.105555D+01          0.023479          0.054063
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.497935D+08          7.697172         17.723394
 Rotational      0.366035D+06          5.563522         12.810483
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3    3  3        33333333                                         1   1  11111111111 1111 11                                    
     7    5  5        10000000                                         8   6  55444443332 2211 00 999 988   7 6 65   4 33222221      
     2    7  0        19995433                                         0   7  10982007649 3176 96 754 032   2 5 17   6 93966217   73 
     2    9  9        26215650                                         3   1  48585436957 1041 36 510 142   0 2 00   5 54563038   79 
 
     X    X  X        XXXXXXXX                                         X   X  XXXXXXXXXXX XXXX XX XXX XXX   X X XX   X XXXXXXXX   XX 
     X                XXXX   X                                         X   X           X    XX XX     X X   X X XX          X        
     X                 X                                               X   X                XX  X     X X   X X  X                   
     X                                                                 X                    XX        X X     X                      
     X                                                                 X                    XX        X X     X                      
                                                                       X                     X          X                            
                                                                       X                     X          X                            
                                                                       X                     X          X                            
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000004353   -0.000000775    0.000006121
      2        6           0.000001141   -0.000003593   -0.000010850
      3        6           0.000005646    0.000003927   -0.000003901
      4        6          -0.000003124   -0.000009459    0.000002167
      5        8          -0.000001229    0.000001383   -0.000001055
      6        6          -0.000001475    0.000005482    0.000008125
      7        7          -0.000003520   -0.000002487    0.000009030
      8        8           0.000002374    0.000002955    0.000003342
      9        1          -0.000003391   -0.000000920   -0.000000224
     10        1           0.000000357   -0.000000377    0.000002720
     11        1           0.000002534    0.000002806   -0.000000496
     12        1           0.000005099   -0.000001615   -0.000004840
     13        1          -0.000003127    0.000001173   -0.000005244
     14        1          -0.000000708    0.000000919   -0.000001633
     15        1           0.000000638   -0.000000524   -0.000001797
     16        1           0.000000884    0.000001280    0.000000263
     17        1           0.000001889   -0.000001151   -0.000001990
     18        1          -0.000000504   -0.000002128    0.000000637
     19        1           0.000000871    0.000003104   -0.000000374
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000010850 RMS     0.000003613
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.882454D+02  0.104413D+01 -0.236981D+01
      2   0.104413D+01  0.773019D+02  0.197864D+01
      3  -0.236981D+01  0.197864D+01  0.746396D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.677678D+00 -0.806223D+00  0.112155D+01
      2   0.585837D+01 -0.719064D+01  0.334411D+02
      3   0.560052D+01 -0.252251D+02  0.823924D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.704931D+02 -0.188967D+02  0.445258D+01
      2  -0.386612D+02  0.216474D+02 -0.113317D+02
      3  -0.318319D+02 -0.275067D+01  0.687912D+01
      4  -0.206219D+02  0.412915D+02 -0.192900D+02
      5   0.106408D+02 -0.222317D+02  0.644297D+02
      6  -0.549885D+01  0.521329D+00 -0.905897D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.258437D+00  0.278697D+01 -0.308072D+01  0.402689D+01 -0.341832D+01
      2   0.278697D+01 -0.286882D+01  0.152322D+00 -0.341832D+01 -0.305664D+01
      3  -0.308072D+01  0.152322D+00  0.544774D+00  0.585306D-01 -0.196717D+01
                 6             7             8             9            10 
      1   0.585306D-01 -0.396309D+01  0.385947D+00 -0.584338D+00  0.183413D+01
      2  -0.196717D+01  0.385947D+00 -0.193565D+01  0.213372D+00 -0.225077D+01
      3   0.488269D+00 -0.584338D+00  0.213372D+00  0.710890D+01  0.367444D+01
                11            12            13            14            15 
      1  -0.225077D+01  0.367444D+01 -0.561019D+01  0.269076D+01  0.145320D+00
      2   0.299622D+01  0.244963D+00  0.269076D+01  0.395029D+01  0.258446D+01
      3   0.244963D+00 -0.365200D+00  0.145320D+00  0.258446D+01  0.527167D+00
                16            17            18            19            20 
      1   0.509833D+01  0.157827D+00  0.215865D+00 -0.262751D+01  0.332782D+01
      2   0.157827D+00  0.258427D+01  0.110996D+01  0.332782D+01 -0.538682D+00
      3   0.215865D+00  0.110996D+01 -0.500693D+01 -0.209857D+01  0.843267D-01
                21            22            23            24            25 
      1  -0.209857D+01  0.583470D+01 -0.250114D+00  0.937404D-01 -0.193109D+01
      2   0.843267D-01 -0.250114D+00 -0.113427D+01 -0.107415D+01  0.208269D+00
      3  -0.490936D+00  0.937404D-01 -0.107415D+01  0.109285D+01 -0.804032D+00
                26            27            28            29            30 
      1   0.208269D+00 -0.804032D+00 -0.100949D+01 -0.152491D+01  0.107379D+01
      2  -0.120909D+01  0.110635D+00 -0.152491D+01  0.604213D+00  0.158726D+01
      3   0.110635D+00  0.594199D+01  0.107379D+01  0.158726D+01  0.538647D+00
                31            32            33            34            35 
      1   0.225993D+01  0.121331D+01  0.135377D+01  0.144587D+01  0.212249D+01
      2   0.121331D+01  0.288515D+01  0.172581D+01  0.212249D+01  0.207104D+01
      3   0.135377D+01  0.172581D+01  0.922111D+00  0.562705D+00  0.127818D+00
                36            37            38            39            40 
      1   0.562705D+00  0.420780D+01  0.306364D+01 -0.704535D+00  0.476952D+01
      2   0.127818D+00  0.306364D+01  0.240290D+00 -0.756722D+00 -0.862550D+00
      3  -0.633889D-01 -0.704535D+00 -0.756722D+00  0.646261D+00 -0.155487D+01
                41            42            43            44            45 
      1  -0.862550D+00 -0.155487D+01  0.159382D+00 -0.124431D+01 -0.745736D+00
      2   0.324620D+01  0.834668D+00 -0.124431D+01  0.383355D+00  0.132149D+01
      3   0.834668D+00  0.158457D+01 -0.745736D+00  0.132149D+01  0.284924D+01
                46            47            48            49            50 
      1   0.136311D+01  0.328576D+01 -0.416399D+01  0.352684D+01 -0.309857D+01
      2   0.328576D+01 -0.299206D+01  0.122187D+00 -0.309857D+01 -0.179386D+01
      3  -0.416399D+01  0.122187D+00  0.321857D+00  0.945759D-01 -0.348239D+01
                51            52            53            54            55 
      1   0.945759D-01 -0.352798D+01 -0.744259D-01  0.222473D+00  0.276020D+01
      2  -0.348239D+01 -0.744259D-01 -0.287516D+01 -0.589788D+00 -0.152720D+01
      3   0.139258D+00  0.222473D+00 -0.589788D+00  0.320243D+01  0.112049D+01
                56            57            58            59            60 
      1  -0.152720D+01  0.112049D+01 -0.102948D+01  0.293166D+01 -0.701339D+00
      2   0.378354D+01 -0.728562D+00  0.293166D+01  0.246058D+01  0.993593D+00
      3  -0.728562D+00  0.205218D+01 -0.701339D+00  0.993593D+00 -0.100256D+01
                61            62            63            64            65 
      1   0.135956D+01 -0.924332D+00  0.215519D+01 -0.325795D+01 -0.296880D+01
      2  -0.924332D+00  0.110719D+01 -0.575013D+00 -0.296880D+01 -0.240306D+01
      3   0.215519D+01 -0.575013D+00 -0.339515D+01 -0.179724D+01 -0.134888D+01
                66            67            68            69            70 
      1  -0.179724D+01 -0.558049D+01 -0.304784D+01 -0.957127D+00 -0.271231D+01
      2  -0.134888D+01 -0.304784D+01 -0.927759D+01 -0.279461D+01 -0.130077D+01
      3  -0.125004D+01 -0.957127D+00 -0.279461D+01 -0.277092D+01 -0.177272D+01
                71            72            73            74            75 
      1  -0.130077D+01 -0.177272D+01  0.559678D+00 -0.408428D+00 -0.871110D+00
      2  -0.248531D+01 -0.289725D+01 -0.408428D+00  0.206731D+00 -0.101568D+00
      3  -0.289725D+01 -0.380053D+01 -0.871110D+00 -0.101568D+00  0.263730D+00
                76            77            78            79            80 
      1  -0.106260D+01  0.149509D+00  0.427420D-02 -0.159317D+01 -0.103941D+00
      2   0.149509D+00  0.536224D+00 -0.104574D+01 -0.103941D+00 -0.144195D+01
      3   0.427420D-02 -0.104574D+01 -0.286271D-01  0.172168D+00  0.469030D+00
                81            82            83            84            85 
      1   0.172168D+00 -0.122883D+01 -0.749704D+00 -0.938485D+00 -0.119905D+01
      2   0.469030D+00 -0.749704D+00 -0.965251D+00 -0.178857D-01 -0.841088D+00
      3  -0.823624D+01 -0.938485D+00 -0.178857D-01 -0.275009D+00 -0.673054D-01
                86            87            88            89            90 
      1  -0.841088D+00 -0.673054D-01 -0.140247D+01 -0.946491D-01 -0.114733D+00
      2  -0.662340D+01 -0.155996D+01 -0.946491D-01 -0.162618D+01 -0.145890D+01
      3  -0.155996D+01 -0.182452D+01 -0.114733D+00 -0.145890D+01 -0.631187D+00
                91            92            93            94            95 
      1  -0.839777D+01 -0.910011D+00  0.242567D+01 -0.367248D+01 -0.137678D+01
      2  -0.910011D+00 -0.144999D+01  0.128641D+00 -0.137678D+01 -0.685632D+00
      3   0.242567D+01  0.128641D+00 -0.183178D+01  0.125518D+01  0.494490D+00
                96            97            98            99           100 
      1   0.125518D+01  0.157676D+01  0.271923D+00 -0.128277D+01 -0.176481D+01
      2   0.494490D+00  0.271923D+00  0.488894D+00 -0.903871D-01  0.232229D+01
      3  -0.877880D+00 -0.128277D+01 -0.903871D-01  0.124657D+01 -0.989509D+00
               101           102           103           104           105 
      1   0.232229D+01 -0.989509D+00  0.230242D+01 -0.256790D+01  0.887361D+00
      2  -0.319891D+01  0.110654D+01 -0.256790D+01  0.493858D+01 -0.139546D+01
      3   0.110654D+01 -0.109492D+01  0.887361D+00 -0.139546D+01  0.128801D+01
               106           107           108           109           110 
      1  -0.176466D+01  0.137968D+01 -0.114028D+01 -0.141235D+00  0.499852D+00
      2   0.137968D+01 -0.247294D+01  0.154825D+01  0.499852D+00 -0.218632D+00
      3  -0.114028D+01  0.154825D+01 -0.144771D+01  0.184433D+00 -0.340420D+00
               111           112           113           114           115 
      1   0.184433D+00  0.395562D+00 -0.148453D+00 -0.355012D+00  0.115292D+01
      2  -0.340420D+00 -0.148453D+00  0.107589D+01  0.848651D+00 -0.479918D+00
      3  -0.661864D+00 -0.355012D+00  0.848651D+00  0.845675D+00 -0.697330D+00
               116           117           118           119           120 
      1  -0.479918D+00 -0.697330D+00  0.934667D+00  0.615827D+00  0.110980D+01
      2   0.224795D+01  0.132534D+01  0.615827D+00  0.131351D+01  0.501434D+00
      3   0.132534D+01  0.516606D+01  0.110980D+01  0.501434D+00  0.101056D+01
               121           122           123           124           125 
      1   0.138536D+01  0.111599D+01  0.831680D+00  0.980385D+00  0.392032D+00
      2   0.111599D+01  0.454924D+01  0.208197D+01  0.392032D+00  0.173232D+01
      3   0.831680D+00  0.208197D+01  0.312733D+01  0.552565D+00  0.148416D+01
               126           127           128           129           130 
      1   0.552565D+00 -0.519968D+01 -0.127951D+01  0.222919D+01 -0.138285D+01
      2   0.148416D+01 -0.127951D+01 -0.115795D+01  0.927226D+00 -0.605783D+00
      3   0.201950D+01  0.222919D+01  0.927226D+00 -0.324054D+01  0.555199D+00
               131           132           133           134           135 
      1  -0.605783D+00  0.555199D+00  0.190318D+01  0.499033D+00 -0.176690D+01
      2  -0.951097D+00  0.122147D+01  0.499033D+00  0.987448D+00 -0.704303D+00
      3   0.122147D+01 -0.108795D+01 -0.176690D+01 -0.704303D+00  0.240566D+01
               136           137           138           139           140 
      1   0.382703D+01 -0.248887D+01  0.229987D+01 -0.283961D+01  0.248914D+01
      2  -0.248887D+01  0.257678D+01 -0.132322D+01  0.248914D+01 -0.341689D+01
      3   0.229987D+01 -0.132322D+01  0.229760D+01 -0.132848D+01  0.221909D+01
               141           142           143           144           145 
      1  -0.132848D+01  0.142369D+01 -0.866284D+00  0.143416D+01  0.145616D+01
      2   0.221909D+01 -0.866284D+00  0.150417D+01 -0.134569D+01  0.121792D+01
      3  -0.224683D+01  0.143416D+01 -0.134569D+01  0.180254D+01  0.433179D+00
               146           147           148           149           150 
      1   0.121792D+01  0.433179D+00  0.295851D+01  0.215334D+01 -0.145876D+00
      2   0.160443D+01  0.580887D-01  0.215334D+01  0.559832D+01  0.581312D+00
      3   0.580887D-01  0.325147D+00 -0.145876D+00  0.581312D+00  0.139946D+01
               151           152           153           154           155 
      1   0.128058D+01  0.315728D+00  0.484773D+00  0.665832D+01 -0.277499D+01
      2   0.315728D+00  0.114780D+01  0.786330D+00 -0.277499D+01  0.223406D+01
      3   0.484773D+00  0.786330D+00 -0.783528D-01  0.862963D+00 -0.335755D+00
               156           157           158           159           160 
      1   0.862963D+00 -0.456028D+01  0.283243D+01 -0.229378D+00  0.264458D+01
      2  -0.335755D+00  0.283243D+01 -0.242374D+01  0.602921D+00 -0.690460D+00
      3   0.107817D+01 -0.229378D+00  0.602921D+00 -0.117542D+01  0.110899D+01
               161           162           163           164           165 
      1  -0.690460D+00  0.110899D+01  0.284634D+00 -0.236879D+00 -0.769668D+00
      2   0.973306D+00 -0.718505D+00 -0.236879D+00  0.233584D+00  0.400272D-01
      3  -0.718505D+00  0.231545D+00 -0.769668D+00  0.400272D-01  0.131350D+00
               166           167           168           169           170 
      1  -0.522702D+00  0.641269D+00  0.597615D-01 -0.213047D+01  0.461591D-01
      2   0.641269D+00  0.122665D+00 -0.868956D+00  0.461591D-01 -0.118146D+01
      3   0.597615D-01 -0.868956D+00 -0.399992D+00  0.199996D+01 -0.116560D+00
               171 
      1   0.199996D+01
      2  -0.116560D+00
      3  -0.931496D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.264566D+01  0.231375D+01  0.159476D+00  0.324284D+01  0.214471D+01
      2  -0.885538D+01  0.285826D+01  0.334135D+00  0.378796D+01 -0.829709D+01
      3  -0.780789D+01  0.563365D+01  0.420361D+00  0.128622D+02  0.103762D+02
                 6             7             8             9            10 
      1  -0.565257D+00  0.659244D+00  0.317169D+01 -0.454762D+00  0.322425D+01
      2   0.109770D+01 -0.873786D+01  0.846626D+00  0.206274D+02  0.729007D+01
      3   0.467024D+01 -0.115208D+01  0.557580D+01 -0.117964D+01  0.299723D+01
                11            12            13            14            15 
      1  -0.409265D+00  0.158729D-01 -0.757677D+00  0.316080D+01 -0.411878D+01
      2  -0.748468D+00  0.414228D+01 -0.393010D+01  0.340969D+01  0.196645D+00
      3  -0.390822D+01 -0.118830D+01  0.159325D+01 -0.894850D+01 -0.399392D+01
                16            17            18            19            20 
      1  -0.369698D+00  0.222462D+01 -0.260291D+01 -0.384149D+01  0.170043D+00
      2  -0.225316D+01  0.117828D+01 -0.510413D+01 -0.975861D-01  0.719337D+00
      3  -0.705208D+00 -0.333453D+01 -0.222030D+00  0.226809D+00 -0.451258D+01
                21            22            23            24            25 
      1  -0.124195D+01 -0.108952D+01  0.836645D+00  0.229665D+01 -0.187004D+00
      2   0.565627D+00  0.645414D+01 -0.518045D+00  0.128132D+01 -0.628918D+01
      3   0.144756D+01  0.911312D+00  0.389949D+00  0.279786D+01 -0.927886D+00
                26            27            28            29            30 
      1   0.527463D+01 -0.172582D+01  0.850011D+00  0.464727D+00  0.203007D+01
      2  -0.375466D+00 -0.256980D+01 -0.905430D+01 -0.456465D+00 -0.278740D+01
      3   0.142687D+01  0.742440D-02 -0.580217D+01  0.170844D+01 -0.169979D+01
                31            32            33            34            35 
      1   0.219892D+01 -0.647610D+01  0.951030D+00 -0.224708D+01  0.211077D+01
      2   0.931010D+01 -0.756576D+00 -0.516181D+01 -0.110658D+02 -0.293462D+01
      3   0.445329D+01  0.975063D+01  0.151817D-01 -0.600485D+01 -0.228954D+01
                36            37            38            39            40 
      1   0.823372D+01  0.786418D+00  0.353226D-01  0.168319D+01  0.185234D+01
      2   0.389291D+01  0.133295D+01 -0.703048D-01  0.189031D+01 -0.978674D+00
      3   0.195932D+01  0.579765D+01 -0.129425D+01 -0.795263D+00  0.437810D+01
                41            42            43            44            45 
      1   0.267931D+01 -0.285755D+01  0.103315D+01  0.366154D+01 -0.175515D+01
      2  -0.343835D+01 -0.334666D+01 -0.121269D+01 -0.286584D+01 -0.745362D+01
      3   0.924627D+01  0.159358D+01  0.233103D+01  0.232559D+01  0.189774D+01
                46            47            48            49            50 
      1   0.342886D+01 -0.578316D+01  0.772911D+00 -0.583297D+01 -0.578743D+01
      2  -0.970767D+01 -0.651761D+01  0.122015D+02 -0.512105D+01  0.818441D+00
      3  -0.588685D+01 -0.317383D+00  0.246990D+01  0.379931D+01  0.482642D+01
                51            52            53            54            55 
      1  -0.106641D+02  0.315269D-01 -0.446063D+01  0.246830D+01 -0.172056D+01
      2  -0.365587D+00  0.542641D+01 -0.581015D+00  0.279038D+01  0.920455D+00
      3   0.447791D+01  0.235066D+01  0.368031D+01  0.471301D+00  0.696747D+01
                56            57            58            59            60 
      1   0.111348D+01 -0.578097D+01  0.114667D+01 -0.458608D+01 -0.343601D+01
      2   0.129357D+01  0.450697D+01 -0.132922D+01  0.989567D-01  0.184724D+00
      3  -0.103293D+02  0.151418D+01  0.341071D+01  0.707609D+01 -0.285395D+01
                61            62            63            64            65 
      1  -0.420523D+01  0.646791D+01  0.860262D+01  0.170289D+01  0.246936D+01
      2  -0.105497D+01  0.330387D+00 -0.507398D+00  0.726860D+00  0.519016D+00
      3   0.290339D+01 -0.200553D+01  0.534043D+01  0.131323D+01 -0.532080D+01
                66            67            68            69            70 
      1  -0.325836D+01  0.436940D+00  0.509428D+01 -0.735105D+01  0.915626D+00
      2   0.573048D+01 -0.841468D+01  0.249964D+01  0.620362D+01 -0.391201D+00
      3  -0.104817D+01  0.476202D+01 -0.156494D+02 -0.345756D+01  0.117053D+01
                71            72            73            74            75 
      1   0.356489D+01 -0.320064D+01  0.831459D+00 -0.285467D+00  0.186975D-01
      2   0.548457D+01  0.435445D+01  0.115962D+01 -0.298716D+00  0.127025D+00
      3  -0.221405D+01 -0.468095D+01  0.100118D+01 -0.431582D+00 -0.715213D+00
                76            77            78            79            80 
      1   0.233577D-01 -0.641412D+00 -0.246278D+00  0.749828D-01  0.349066D+01
      2  -0.889536D+00  0.445440D+00 -0.181093D-02 -0.398517D+01  0.627666D-01
      3   0.125975D+01  0.732691D-01 -0.514643D+00 -0.481742D+00 -0.438910D+00
                81            82            83            84            85 
      1   0.170809D+01 -0.134414D+01  0.168376D+00 -0.585796D+00 -0.150005D+00
      2   0.890191D+00 -0.201730D+01 -0.319135D+00 -0.661929D-02 -0.928616D+00
      3   0.295596D-01  0.326201D+01  0.104279D+01  0.100152D+01  0.536331D+01
                86            87            88            89            90 
      1   0.183367D+00 -0.363967D+01 -0.224760D+00  0.361083D+00 -0.523411D+00
      2  -0.173689D+01 -0.174191D+01 -0.227530D+01 -0.159099D+01 -0.699568D+00
      3   0.802194D+01  0.207953D+01  0.213719D+01  0.197755D+01  0.188712D+01
                91            92            93            94            95 
      1  -0.165662D+01 -0.146649D+01  0.262272D+00 -0.580931D+00 -0.105960D+01
      2  -0.100118D+01  0.487902D+00  0.447665D+01 -0.118614D+01 -0.422027D+00
      3  -0.423917D+01 -0.504728D+01  0.125677D+01 -0.248529D+01 -0.331483D+01
                96            97            98            99           100 
      1  -0.328149D+00  0.865745D+00  0.488853D+00 -0.465053D+00  0.130281D+01
      2   0.254300D+01  0.681031D+00  0.394940D+00 -0.174456D+01 -0.120866D+01
      3   0.744703D+00  0.179628D+01  0.152191D+01 -0.796638D+00 -0.546786D+01
               101           102           103           104           105 
      1  -0.173675D+01  0.336380D+01 -0.153627D+01  0.141857D+01 -0.340923D+01
      2   0.482582D+00  0.537270D+00  0.764239D+00 -0.516278D+00 -0.419027D+00
      3   0.402571D+01 -0.232568D+01  0.758899D+01 -0.570269D+01  0.268841D+01
               106           107           108           109           110 
      1   0.202208D+01 -0.136137D+01  0.242933D+01 -0.473744D+00  0.898551D+00
      2  -0.153214D+01  0.253798D+00 -0.190539D-01  0.750592D+00  0.128448D+00
      3  -0.465089D+01  0.329243D+01 -0.294475D+01 -0.531657D+00  0.838231D-01
               111           112           113           114           115 
      1   0.181679D+01  0.108855D+01 -0.212520D+01 -0.223651D+01  0.160876D+01
      2  -0.289270D+00  0.132371D+00 -0.103846D+00  0.370192D+00 -0.269969D+01
      3   0.566221D+00  0.104785D+01 -0.602242D+00 -0.101661D+01  0.323415D+01
               116           117           118           119           120 
      1  -0.120757D+01 -0.138865D+02  0.166639D+01  0.289371D+01  0.104396D+01
      2   0.372177D+00  0.833410D+00  0.155838D+00 -0.368484D+00  0.676588D+00
      3  -0.109662D+01 -0.221479D+01 -0.485526D+00 -0.274262D+01 -0.107686D+01
               121           122           123           124           125 
      1   0.207238D+01  0.122548D+02  0.315817D+01  0.128691D+01  0.559200D+01
      2  -0.256677D+01  0.985695D+00  0.334983D+01 -0.221579D+01  0.106735D+01
      3   0.162330D+00 -0.754129D+01 -0.261915D+01 -0.494145D+00 -0.231591D+01
               126           127           128           129           130 
      1   0.347447D+01 -0.555833D+00 -0.249418D+01 -0.144399D+01 -0.852402D+00
      2   0.156255D+01  0.154664D+02  0.327188D+01 -0.524949D+01  0.345937D+01
      3  -0.218211D+01  0.615387D+01  0.357378D+00 -0.220166D+01  0.291949D+01
               131           132           133           134           135 
      1  -0.537908D+00  0.349969D+00 -0.438693D+00  0.253185D+01  0.456573D+00
      2   0.232166D+01 -0.164341D+01 -0.751168D+01 -0.181951D+01  0.499734D+01
      3   0.948793D+00 -0.159344D+01 -0.206124D+01 -0.582028D+00  0.199870D+01
               136           137           138           139           140 
      1  -0.270465D+01  0.462051D+01  0.438499D+00  0.338044D+01 -0.461462D+01
      2  -0.402581D+01  0.248222D+01  0.153121D+01  0.409845D+01 -0.124965D+01
      3  -0.968812D-01 -0.330065D+01  0.424406D+00  0.535773D+00  0.341476D+01
               141           142           143           144           145 
      1   0.177719D+00 -0.782869D+00  0.290405D+01 -0.762097D+00 -0.100391D+01
      2  -0.163566D+01 -0.261985D+01  0.800273D-01  0.256619D+00  0.230586D+01
      3  -0.201481D+01 -0.513685D+00 -0.185549D+01  0.726343D+00 -0.386615D+01
               146           147           148           149           150 
      1  -0.138427D+01 -0.646930D+00 -0.135896D+01 -0.422007D+01 -0.273696D+01
      2   0.109774D+01  0.193198D+01  0.133159D+01  0.393971D+01  0.479971D+01
      3  -0.499271D+01 -0.974577D-01 -0.267868D+01 -0.181081D+02 -0.219876D+01
               151           152           153           154           155 
      1  -0.396105D+00  0.801872D-01 -0.825910D+00  0.212208D+01 -0.146477D+01
      2   0.613456D+00  0.230107D+01  0.510889D+00  0.703270D+01 -0.337939D+01
      3  -0.170406D+00 -0.384315D+01 -0.199987D+01  0.518478D+01 -0.805175D+01
               156           157           158           159           160 
      1   0.139618D+01 -0.175530D+01  0.159349D+01 -0.232084D+01  0.679432D+00
      2   0.600760D+01 -0.361037D+01  0.388030D+01 -0.478132D+01  0.344710D+01
      3   0.975524D+00 -0.522744D+01  0.696735D+01 -0.185121D+01  0.967182D+00
               161           162           163           164           165 
      1  -0.131972D+00  0.919017D+00  0.314347D-01 -0.123464D+00 -0.437222D-01
      2  -0.245545D+01  0.207734D+01 -0.235778D+01 -0.192161D+00  0.991805D+00
      3  -0.332454D+01  0.177160D+01  0.757666D+00 -0.125313D+01  0.820972D-01
               166           167           168           169           170 
      1  -0.344060D+00 -0.307749D+00 -0.341833D+00  0.196247D+00  0.388726D+01
      2  -0.383049D+00 -0.136077D+01 -0.929537D+00 -0.446182D+00 -0.271792D+00
      3  -0.533611D+00 -0.701948D+00  0.186308D+01  0.271721D+00  0.349983D+01
               171 
      1  -0.110004D+01
      2  -0.235118D+02
      3   0.131246D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.183532D+01  0.163938D+02 -0.175062D+02  0.199564D+02 -0.210242D+02
      2  -0.441163D+01 -0.669762D+01  0.769777D+01 -0.959530D+01  0.578509D+01
      3   0.624695D+01 -0.969622D+01  0.980847D+01 -0.103611D+02  0.152391D+02
      4   0.198100D+02 -0.172255D+02  0.232303D+01 -0.246397D+02 -0.146735D+02
      5  -0.177807D+02 -0.720952D+00  0.443098D+01 -0.164064D+01 -0.850815D+01
      6  -0.853040D+00  0.203700D+01 -0.149245D+00  0.168503D+01  0.377470D+01
                 6             7             8             9            10 
      1   0.694143D+00 -0.207995D+02  0.252345D+01  0.973630D+01 -0.829496D+01
      2   0.420528D+00  0.632115D+01 -0.599475D+00  0.941408D+01  0.415726D+00
      3  -0.111467D+01  0.144783D+02 -0.192398D+01 -0.191504D+02  0.787923D+01
      4  -0.984294D+01  0.436344D+01 -0.114599D+02  0.298698D+01 -0.706116D+01
      5   0.127738D+01  0.580445D+00  0.163515D+01  0.314060D+02  0.117107D+02
      6   0.175438D+01  0.590493D+00  0.165311D+01 -0.496722D+01 -0.475477D+01
                11            12            13            14            15 
      1  -0.472702D+01  0.106430D+02 -0.621510D+01  0.141131D+02  0.351959D+01
      2   0.103724D+01 -0.755852D+01  0.262103D+01 -0.170669D+02 -0.647285D+01
      3   0.368978D+01 -0.308447D+01  0.359407D+01  0.295378D+01  0.295326D+01
      4   0.658185D+01 -0.213540D+01  0.155986D+02  0.589722D+01  0.520193D+01
      5   0.872287D+00 -0.882146D+00  0.289984D+01  0.525461D+01  0.164689D+01
      6   0.332731D+00  0.246269D+00  0.922129D+00 -0.773964D+01  0.237733D+01
                16            17            18            19            20 
      1   0.148423D+02  0.253902D+01  0.423415D+01 -0.119161D+02 -0.257721D+01
      2  -0.700863D+01 -0.319013D+01 -0.106857D+01  0.163032D+02  0.313771D+01
      3  -0.783364D+01  0.651113D+00 -0.316557D+01 -0.438712D+01 -0.560506D+00
      4  -0.231823D+01  0.511530D+01  0.154844D+01  0.521643D+01  0.354313D+01
      5  -0.962666D+00  0.250011D+01 -0.129123D+02  0.318621D+01 -0.442963D+00
      6  -0.375612D+00 -0.231102D+01  0.231410D+01  0.351044D+01 -0.722676D+00
                21            22            23            24            25 
      1   0.111996D+01 -0.665049D+00  0.767283D+00  0.298581D+01 -0.738292D+01
      2   0.474596D+00 -0.320343D+00 -0.491681D+01 -0.169591D+01  0.177735D+01
      3  -0.159456D+01  0.985392D+00  0.414952D+01 -0.128990D+01  0.560558D+01
      4   0.182099D+01 -0.114583D+02  0.108624D+01  0.305416D+00 -0.828084D+00
      5   0.872308D+00  0.202189D+01  0.775692D+00  0.391087D+00  0.108189D+01
      6   0.403651D+00  0.414385D-01  0.182510D+01 -0.428952D+01 -0.158073D+01
                26            27            28            29            30 
      1   0.213694D+01  0.982477D+01  0.442492D+01  0.102829D+02 -0.151435D+01
      2  -0.584271D+01  0.119429D+02 -0.855202D+01 -0.964848D+01 -0.309291D+01
      3   0.370577D+01 -0.217676D+02  0.412709D+01 -0.634467D+00  0.460726D+01
      4  -0.254476D+01 -0.390389D+00 -0.302020D-01 -0.107695D+02 -0.771109D+01
      5  -0.174834D+01  0.195811D+01 -0.340980D+01 -0.840041D+01 -0.971688D+01
      6   0.125208D+01  0.397208D+01 -0.630827D+01 -0.178106D+01 -0.347725D+01
                31            32            33            34            35 
      1  -0.249699D+01  0.477242D+01  0.152032D+01 -0.467270D+01 -0.517261D+01
      2  -0.311182D+01 -0.133265D+02  0.569468D+01  0.692787D+00 -0.215506D+01
      3   0.560880D+01  0.855403D+01 -0.721501D+01  0.397991D+01  0.732767D+01
      4  -0.176940D+02 -0.203048D+02 -0.504567D+01 -0.159752D+02 -0.171792D+01
      5  -0.157038D+02 -0.761195D+01 -0.101536D+02 -0.487191D+01 -0.355912D+01
      6  -0.204992D+01 -0.894336D+01 -0.615781D+01 -0.322809D-01 -0.140052D+00
                36            37            38            39            40 
      1  -0.240075D+01 -0.139044D+02 -0.145106D+02  0.480217D+01 -0.230977D+02
      2   0.136951D+00  0.947913D+01  0.711108D+01  0.228042D+00  0.125939D+02
      3   0.226379D+01  0.442530D+01  0.739947D+01 -0.503022D+01  0.105039D+02
      4  -0.271867D+01 -0.184876D+02  0.762617D+01  0.559662D+01  0.107362D+02
      5   0.366081D+01  0.553075D+01  0.566679D+01  0.431226D+01  0.115787D+02
      6  -0.720761D+01  0.492213D+01 -0.408480D+00 -0.363331D+01 -0.113993D+01
                41            42            43            44            45 
      1  -0.204415D+01  0.369566D+01  0.385854D+01  0.207631D+01 -0.375555D+01
      2   0.652031D+01 -0.477448D+01 -0.152261D+01 -0.122082D+01 -0.733056D+01
      3  -0.447616D+01  0.107882D+01 -0.233593D+01 -0.855483D+00  0.110861D+02
      4  -0.151931D+02 -0.498566D+01  0.834907D+01 -0.512310D+01 -0.716609D+01
      5  -0.306124D+01 -0.833764D+01  0.916634D+01 -0.661434D+01 -0.152175D+02
      6   0.390499D+01  0.623312D+01 -0.332531D+01  0.540977D+01  0.335244D+01
                46            47            48            49            50 
      1   0.120018D+02  0.771114D+01 -0.102755D+02  0.668419D+01 -0.360036D+01
      2  -0.213827D+01 -0.209209D+00  0.363348D+01 -0.218622D+00  0.974294D+01
      3  -0.986355D+01 -0.750193D+01  0.664206D+01 -0.646557D+01 -0.614257D+01
      4   0.614689D+01 -0.138228D+02  0.792047D+01 -0.150958D+02 -0.934513D+00
      5  -0.464540D+01  0.100157D+02 -0.111576D+02  0.872343D+01 -0.181301D+02
      6   0.153236D+02 -0.101963D+02 -0.117083D+01 -0.115361D+02 -0.352180D+01
                51            52            53            54            55 
      1   0.161940D+01 -0.899663D+01 -0.309538D-01 -0.791999D+01  0.120703D+02
      2   0.377843D+01  0.272614D+01  0.389208D+01 -0.568830D+01 -0.113402D+02
      3  -0.539783D+01  0.627049D+01 -0.386112D+01  0.136083D+02 -0.730064D+00
      4  -0.117483D+02  0.614547D+01 -0.838405D+01 -0.140580D+01  0.573923D+01
      5  -0.732660D+00 -0.109964D+02 -0.219493D+01  0.892617D+01 -0.227323D+01
      6  -0.134139D+02 -0.508537D+00 -0.969999D+01 -0.241014D+01  0.415805D+01
                56            57            58            59            60 
      1  -0.956684D+01  0.556098D+00 -0.769237D+01 -0.116120D+02 -0.305820D+01
      2   0.156846D+02 -0.292261D+01  0.142337D+02  0.199196D+02  0.526004D+01
      3  -0.611777D+01  0.236651D+01 -0.654137D+01 -0.830764D+01 -0.220184D+01
      4  -0.428776D+01  0.321530D+01  0.355884D+01  0.136820D+02 -0.369539D+01
      5   0.222244D+01  0.237136D+01  0.409958D+00 -0.283294D+01  0.142384D+01
      6  -0.552987D+01  0.887042D+01 -0.552970D+01  0.465774D+01  0.229703D+01
                61            62            63            64            65 
      1   0.306721D+01 -0.810344D+00  0.163221D+01  0.167178D+02  0.657963D+01
      2  -0.345567D+01  0.563041D+01 -0.430248D+01 -0.584646D+01  0.123744D+01
      3   0.388465D+00 -0.482007D+01  0.267026D+01 -0.108714D+02 -0.781707D+01
      4   0.409421D+01 -0.263780D+01  0.823097D+01  0.180291D+02  0.199404D+02
      5   0.355759D+01  0.331201D+01 -0.111432D+01  0.124034D+02  0.903783D+01
      6   0.954180D+01 -0.687205D+00 -0.121098D+02  0.550877D+01  0.429332D+01
                66            67            68            69            70 
      1   0.323643D+01  0.992485D+01 -0.131998D+02 -0.569159D+01  0.659397D+01
      2  -0.305441D+01  0.541752D+00  0.302571D+02  0.225218D+01 -0.348655D+01
      3  -0.182016D+00 -0.104666D+02 -0.170573D+02  0.343941D+01 -0.310742D+01
      4   0.795734D+01  0.270307D+02  0.403298D+02  0.107833D+02  0.931616D+01
      5   0.146760D+02  0.104960D+02  0.139664D+02  0.147020D+02  0.151255D+02
      6   0.563849D+01  0.586471D+01  0.144773D+02  0.150847D+02  0.595800D+01
                71            72            73            74            75 
      1  -0.268082D+01 -0.542444D+01  0.133346D+01 -0.159685D+00 -0.314097D+00
      2   0.185765D+01 -0.303660D+01 -0.465062D+01  0.371359D+00  0.390327D+00
      3   0.823172D+00  0.846105D+01  0.331716D+01 -0.211674D+00 -0.762300D-01
      4   0.862744D+01  0.122143D+02 -0.641927D+00  0.122954D+01 -0.116488D+01
      5   0.132788D+02  0.167734D+02 -0.124511D+01 -0.470028D+00  0.583325D+01
      6   0.135377D+02  0.114855D+02 -0.124481D+01  0.147312D+00  0.344614D+00
                76            77            78            79            80 
      1   0.799990D+00 -0.393244D+01  0.210850D+00  0.108558D+01  0.266904D+01
      2   0.498774D+00  0.672970D+00 -0.120948D+01  0.740106D+00 -0.129451D+01
      3  -0.129876D+01  0.325947D+01  0.998634D+00 -0.182569D+01 -0.137453D+01
      4   0.262003D+01 -0.273590D+00 -0.161908D+00 -0.175334D-01  0.600203D+00
      5   0.309864D-01 -0.500710D+00 -0.321921D+00  0.561889D+01  0.483751D+00
      6   0.126238D+00 -0.104009D+01  0.666718D+01  0.128025D+00  0.532650D+01
                81            82            83            84            85 
      1  -0.192154D+02 -0.494087D+00 -0.257118D+01 -0.211872D+01 -0.422556D+01
      2  -0.161684D+02  0.339320D+01  0.302361D+01  0.174840D+01  0.408634D+01
      3   0.353838D+02 -0.289912D+01 -0.452432D+00  0.370314D+00  0.139227D+00
      4  -0.387853D+00  0.238786D+00  0.327812D+01  0.107274D+01  0.275184D+01
      5  -0.329432D+00 -0.149186D+01  0.733874D+00  0.108540D+01  0.101575D+01
      6  -0.663848D+01  0.192243D+01  0.884430D+00  0.729903D+00  0.731370D+00
                86            87            88            89            90 
      1  -0.171209D+02 -0.270550D+01 -0.358288D+01 -0.401877D+01 -0.498971D+01
      2   0.275012D+02  0.556603D+01  0.210367D+01  0.436347D+01  0.296791D+01
      3  -0.103803D+02 -0.286053D+01  0.147922D+01 -0.344696D+00  0.202181D+01
      4  -0.105624D+02 -0.277992D+01  0.491345D+00 -0.292147D+01 -0.209220D+01
      5  -0.285038D+01 -0.393792D+01  0.223300D+01 -0.247886D+01 -0.631633D+00
      6   0.850526D+01  0.672214D+01  0.112575D+01  0.800798D+01  0.465624D+01
                91            92            93            94            95 
      1   0.456471D+02  0.534708D+01 -0.112672D+02  0.179374D+02  0.577535D+01
      2  -0.260213D+02 -0.347348D+01  0.776227D+01 -0.992061D+01 -0.258134D+01
      3  -0.196258D+02 -0.187360D+01  0.350492D+01 -0.801679D+01 -0.319401D+01
      4   0.460853D+01  0.655265D+01 -0.115354D+01  0.925948D+01  0.445695D+01
      5  -0.172001D+02 -0.157926D+01  0.106262D+02 -0.804557D+01 -0.351313D+01
      6  -0.282041D+01 -0.974739D+00  0.117068D+01 -0.346847D+01 -0.190801D+01
                96            97            98            99           100 
      1  -0.521036D+01 -0.486827D+01 -0.458753D+00  0.510105D+01 -0.229626D+01
      2   0.355736D+01  0.443026D+01  0.616457D+00 -0.481287D+01  0.774296D+01
      3   0.165299D+01  0.438008D+00 -0.157704D+00 -0.288177D+00 -0.544670D+01
      4  -0.317868D+01 -0.727112D+00 -0.172025D+01  0.688321D+00 -0.858981D+01
      5   0.505681D+01  0.961229D+01  0.128695D+01 -0.659299D+01  0.294942D+01
      6   0.221748D+01  0.686421D+00  0.132665D+01 -0.853076D+00 -0.560766D+01
               101           102           103           104           105 
      1   0.793223D+01 -0.248884D+01  0.616724D+01 -0.130204D+02  0.391353D+01
      2  -0.151918D+02  0.394331D+01 -0.115893D+02  0.239785D+02 -0.645133D+01
      3   0.725957D+01 -0.145447D+01  0.542204D+01 -0.109581D+02  0.253781D+01
      4   0.128211D+02 -0.473471D+01  0.117822D+02 -0.121103D+02  0.425069D+01
      5  -0.279988D+01  0.317143D+01 -0.164183D+01  0.273817D+01 -0.147740D+01
      6   0.769887D+01 -0.630431D+01  0.584354D+01 -0.963225D+01  0.731118D+01
               106           107           108           109           110 
      1  -0.376678D+01  0.603673D+01 -0.518186D+01 -0.120219D+01  0.146907D+01
      2   0.487891D+01 -0.853178D+01  0.460315D+01  0.157231D+01 -0.154236D+01
      3  -0.111213D+01  0.249505D+01  0.578702D+00 -0.370120D+00  0.732902D-01
      4  -0.633332D+01  0.582636D+01 -0.487440D+01  0.385558D+00  0.314631D+01
      5   0.330272D+01 -0.245426D+01  0.247137D+01 -0.108782D+01 -0.337630D+00
      6  -0.618140D+01  0.988224D+01 -0.730914D+01  0.379968D+00 -0.215380D+01
               111           112           113           114           115 
      1   0.162660D+01  0.103347D+01 -0.343392D+01 -0.251827D+01  0.931793D+00
      2  -0.999190D+00 -0.900805D+00  0.466738D+01  0.296949D+01 -0.122127D+01
      3  -0.627406D+00 -0.132660D+00 -0.123346D+01 -0.451213D+00  0.289475D+00
      4   0.455223D+00  0.306427D+01 -0.869468D+00 -0.117787D+01  0.383646D+01
      5   0.168495D+01  0.743132D-01 -0.294771D+00 -0.336396D+00  0.135314D+01
      6  -0.307420D+01 -0.143822D+01  0.301427D+01  0.626377D+01 -0.349210D+01
               116           117           118           119           120 
      1  -0.619963D+01 -0.746793D+01  0.234651D+01  0.180272D+01  0.159803D+01
      2   0.798957D+01  0.121842D+01 -0.321202D+01 -0.244403D+01 -0.359723D+01
      3  -0.178994D+01  0.624951D+01  0.865518D+00  0.641312D+00  0.199920D+01
      4  -0.160303D+01 -0.325435D+01  0.327163D+01  0.646467D+01  0.141103D+01
      5  -0.118273D+01 -0.938543D+00  0.598796D+01  0.367296D+01  0.790686D+01
      6   0.743418D+01  0.198503D+02  0.176511D+01  0.510275D+01  0.214602D+01
               121           122           123           124           125 
      1   0.381753D+01 -0.291064D+01 -0.520370D+01  0.120894D+01 -0.285521D+01
      2  -0.439833D+01 -0.127839D+01 -0.705452D+01 -0.268142D+01 -0.404833D+01
      3   0.580808D+00  0.418903D+01  0.122582D+02  0.147248D+01  0.690354D+01
      4   0.606666D+01  0.121198D+02  0.687824D+01  0.806908D+00  0.479005D+01
      5   0.723006D+01  0.100433D+02  0.109953D+02  0.622247D+01  0.553011D+01
      6   0.520713D+01  0.168385D+02  0.105548D+02  0.208363D+01  0.977590D+01
               126           127           128           129           130 
      1  -0.450121D+01 -0.906083D+01 -0.576775D+01  0.126779D+02 -0.452884D+01
      2  -0.530149D+01  0.897976D+00  0.276360D+01  0.218418D+01  0.241466D+01
      3   0.980270D+01  0.816285D+01  0.300414D+01 -0.148621D+02  0.211418D+01
      4   0.420629D+01  0.581101D+01  0.330548D+01 -0.302934D+01  0.435048D+01
      5   0.729377D+01 -0.129023D+02 -0.360040D+01  0.558950D+01 -0.402475D+01
      6   0.683306D+01 -0.690274D+01 -0.613553D+01  0.728458D+01 -0.339189D+01
               131           132           133           134           135 
      1  -0.476591D+01  0.437380D+01  0.850114D+01  0.379360D+01 -0.103085D+02
      2   0.247112D+01 -0.115334D+01  0.120510D+01 -0.967796D+00 -0.349481D+01
      3   0.229479D+01 -0.322045D+01 -0.970624D+01 -0.282580D+01  0.138033D+02
      4   0.130453D+01  0.553662D+00 -0.236239D+01  0.117558D+00  0.208759D+01
      5   0.143758D+00  0.900077D+00  0.778288D+01  0.146952D+01 -0.440487D+01
      6  -0.469568D+01  0.700553D+01  0.448155D+01  0.618168D+01 -0.577891D+01
               136           137           138           139           140 
      1   0.118026D+02 -0.408456D+01  0.171613D+01 -0.535269D+01 -0.227669D+01
      2  -0.684287D+01 -0.345403D+00 -0.527125D+01  0.273630D+00  0.635923D+01
      3  -0.495974D+01  0.442996D+01  0.355512D+01  0.507906D+01 -0.408253D+01
      4  -0.157292D+02  0.146463D+02 -0.829422D+01  0.151970D+02 -0.163994D+02
      5   0.183246D+02 -0.115158D+02  0.157030D+02 -0.126676D+02  0.127914D+02
      6  -0.108592D+02  0.113417D+02 -0.850436D+01  0.104174D+02 -0.150382D+02
               141           142           143           144           145 
      1   0.318751D+01  0.149284D+01  0.215043D+01 -0.179399D+01  0.989498D+01
      2   0.663256D+00 -0.392770D+01  0.780373D+00 -0.393719D+01 -0.196877D+01
      3  -0.385077D+01  0.243486D+01 -0.293081D+01  0.573118D+01 -0.792621D+01
      4   0.932175D+01 -0.511609D+01  0.594080D+01 -0.682919D+01  0.741698D+01
      5  -0.108198D+02  0.115667D+02 -0.739599D+01  0.105002D+02  0.167302D+01
      6   0.129942D+02 -0.614090D+01  0.970757D+01 -0.858491D+01 -0.635331D+00
               146           147           148           149           150 
      1   0.653494D+01  0.284545D+01  0.159168D+02  0.844430D+01  0.234976D+00
      2  -0.155152D+01 -0.937440D+00 -0.577982D+01  0.511407D+01  0.164750D+01
      3  -0.498342D+01 -0.190801D+01 -0.101370D+02 -0.135584D+02 -0.188248D+01
      4   0.131529D+02  0.964254D+00  0.169808D+02  0.316150D+02  0.329781D+01
      5   0.132007D+00  0.245543D+01 -0.179562D+01  0.318967D+01  0.853575D+01
      6  -0.173563D+01  0.464654D+00 -0.141341D+01 -0.450504D+01  0.216869D+01
               151           152           153           154           155 
      1   0.755340D+01  0.136343D+01 -0.159535D+00  0.484721D+02 -0.170604D+02
      2  -0.293507D+01  0.626280D+00 -0.121440D+01 -0.203105D+02  0.529595D+01
      3  -0.461833D+01 -0.198971D+01  0.137394D+01 -0.281616D+02  0.117644D+02
      4   0.232140D+01  0.629723D+01  0.416785D+01 -0.236350D+02  0.183771D+02
      5   0.341308D+01  0.474122D+01  0.551962D-01  0.183184D+01 -0.708106D+00
      6   0.107852D+01  0.228860D+01  0.110434D+01  0.178522D+01 -0.204510D+01
               156           157           158           159           160 
      1   0.622548D+01 -0.261471D+02  0.131069D+02 -0.190031D+01  0.152491D+02
      2  -0.201303D+01  0.893559D+01  0.271615D+00 -0.583370D+00 -0.616784D+01
      3  -0.421246D+01  0.172115D+02 -0.133785D+02  0.248368D+01 -0.908124D+01
      4  -0.271991D+01  0.231501D+02 -0.186249D+02  0.384534D+01 -0.674116D+01
      5   0.844095D+01  0.332524D+00  0.222331D+01 -0.741853D+01  0.794857D+01
      6  -0.128316D+01 -0.183437D+01  0.104324D+01  0.246570D+01 -0.150035D+01
               161           162           163           164           165 
      1  -0.373933D+01  0.436521D+01  0.195306D+01 -0.163626D+01 -0.472200D+01
      2   0.527216D+00 -0.354190D+01 -0.334006D+01  0.745194D+00  0.296408D+01
      3   0.321211D+01 -0.823307D+00  0.138700D+01  0.891063D+00  0.175792D+01
      4   0.690087D+01 -0.507743D+01 -0.145512D+01  0.274170D+01  0.184731D+00
      5  -0.457592D+01  0.261212D+01 -0.393141D+01  0.200238D+00  0.723645D+01
      6   0.163476D+01 -0.101525D+01  0.710512D+00 -0.154888D+00  0.297395D+00
               166           167           168           169           170 
      1  -0.251263D+01  0.427391D+00 -0.986747D+00 -0.873522D+01 -0.641611D+00
      2   0.102773D+01 -0.102203D+01  0.223967D+00  0.911118D+01  0.248004D+00
      3   0.148490D+01  0.594639D+00  0.762780D+00 -0.375956D+00  0.393608D+00
      4   0.498607D+01  0.498455D+00 -0.419165D+01  0.694610D+00 -0.610355D+01
      5   0.706334D+00 -0.382295D+01 -0.139330D+01  0.165109D+02 -0.989005D+00
      6  -0.140677D+01  0.961620D+00  0.638355D+01 -0.149285D+01  0.672150D+01
               171 
      1  -0.115346D+02
      2  -0.201455D+02
      3   0.316801D+02
      4  -0.193440D+01
      5  -0.458854D+02
      6   0.528511D+01
 Leave Link  716 at Mon Aug 16 21:41:20 2021, MaxMem=  5637144576 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.882454D+02  0.104413D+01 -0.236981D+01
      2   0.104413D+01  0.773019D+02  0.197864D+01
      3  -0.236981D+01  0.197864D+01  0.746396D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.677678D+00 -0.806223D+00  0.112155D+01
      2   0.585837D+01 -0.719064D+01  0.334411D+02
      3   0.560052D+01 -0.252251D+02  0.823924D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.704931D+02 -0.188967D+02  0.445258D+01
      2  -0.386612D+02  0.216474D+02 -0.113317D+02
      3  -0.318319D+02 -0.275067D+01  0.687912D+01
      4  -0.206219D+02  0.412915D+02 -0.192900D+02
      5   0.106408D+02 -0.222317D+02  0.644297D+02
      6  -0.549885D+01  0.521329D+00 -0.905897D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.258437D+00  0.278697D+01 -0.308072D+01  0.402689D+01 -0.341832D+01
      2   0.278697D+01 -0.286882D+01  0.152322D+00 -0.341832D+01 -0.305664D+01
      3  -0.308072D+01  0.152322D+00  0.544774D+00  0.585306D-01 -0.196717D+01
                 6             7             8             9            10 
      1   0.585306D-01 -0.396309D+01  0.385947D+00 -0.584338D+00  0.183413D+01
      2  -0.196717D+01  0.385947D+00 -0.193565D+01  0.213372D+00 -0.225077D+01
      3   0.488269D+00 -0.584338D+00  0.213372D+00  0.710890D+01  0.367444D+01
                11            12            13            14            15 
      1  -0.225077D+01  0.367444D+01 -0.561019D+01  0.269076D+01  0.145320D+00
      2   0.299622D+01  0.244963D+00  0.269076D+01  0.395029D+01  0.258446D+01
      3   0.244963D+00 -0.365200D+00  0.145320D+00  0.258446D+01  0.527167D+00
                16            17            18            19            20 
      1   0.509833D+01  0.157827D+00  0.215865D+00 -0.262751D+01  0.332782D+01
      2   0.157827D+00  0.258427D+01  0.110996D+01  0.332782D+01 -0.538682D+00
      3   0.215865D+00  0.110996D+01 -0.500693D+01 -0.209857D+01  0.843267D-01
                21            22            23            24            25 
      1  -0.209857D+01  0.583470D+01 -0.250114D+00  0.937404D-01 -0.193109D+01
      2   0.843267D-01 -0.250114D+00 -0.113427D+01 -0.107415D+01  0.208269D+00
      3  -0.490936D+00  0.937404D-01 -0.107415D+01  0.109285D+01 -0.804032D+00
                26            27            28            29            30 
      1   0.208269D+00 -0.804032D+00 -0.100949D+01 -0.152491D+01  0.107379D+01
      2  -0.120909D+01  0.110635D+00 -0.152491D+01  0.604213D+00  0.158726D+01
      3   0.110635D+00  0.594199D+01  0.107379D+01  0.158726D+01  0.538647D+00
                31            32            33            34            35 
      1   0.225993D+01  0.121331D+01  0.135377D+01  0.144587D+01  0.212249D+01
      2   0.121331D+01  0.288515D+01  0.172581D+01  0.212249D+01  0.207104D+01
      3   0.135377D+01  0.172581D+01  0.922111D+00  0.562705D+00  0.127818D+00
                36            37            38            39            40 
      1   0.562705D+00  0.420780D+01  0.306364D+01 -0.704535D+00  0.476952D+01
      2   0.127818D+00  0.306364D+01  0.240290D+00 -0.756722D+00 -0.862550D+00
      3  -0.633889D-01 -0.704535D+00 -0.756722D+00  0.646261D+00 -0.155487D+01
                41            42            43            44            45 
      1  -0.862550D+00 -0.155487D+01  0.159382D+00 -0.124431D+01 -0.745736D+00
      2   0.324620D+01  0.834668D+00 -0.124431D+01  0.383355D+00  0.132149D+01
      3   0.834668D+00  0.158457D+01 -0.745736D+00  0.132149D+01  0.284924D+01
                46            47            48            49            50 
      1   0.136311D+01  0.328576D+01 -0.416399D+01  0.352684D+01 -0.309857D+01
      2   0.328576D+01 -0.299206D+01  0.122187D+00 -0.309857D+01 -0.179386D+01
      3  -0.416399D+01  0.122187D+00  0.321857D+00  0.945759D-01 -0.348239D+01
                51            52            53            54            55 
      1   0.945759D-01 -0.352798D+01 -0.744259D-01  0.222473D+00  0.276020D+01
      2  -0.348239D+01 -0.744259D-01 -0.287516D+01 -0.589788D+00 -0.152720D+01
      3   0.139258D+00  0.222473D+00 -0.589788D+00  0.320243D+01  0.112049D+01
                56            57            58            59            60 
      1  -0.152720D+01  0.112049D+01 -0.102948D+01  0.293166D+01 -0.701339D+00
      2   0.378354D+01 -0.728562D+00  0.293166D+01  0.246058D+01  0.993593D+00
      3  -0.728562D+00  0.205218D+01 -0.701339D+00  0.993593D+00 -0.100256D+01
                61            62            63            64            65 
      1   0.135956D+01 -0.924332D+00  0.215519D+01 -0.325795D+01 -0.296880D+01
      2  -0.924332D+00  0.110719D+01 -0.575013D+00 -0.296880D+01 -0.240306D+01
      3   0.215519D+01 -0.575013D+00 -0.339515D+01 -0.179724D+01 -0.134888D+01
                66            67            68            69            70 
      1  -0.179724D+01 -0.558049D+01 -0.304784D+01 -0.957127D+00 -0.271231D+01
      2  -0.134888D+01 -0.304784D+01 -0.927759D+01 -0.279461D+01 -0.130077D+01
      3  -0.125004D+01 -0.957127D+00 -0.279461D+01 -0.277092D+01 -0.177272D+01
                71            72            73            74            75 
      1  -0.130077D+01 -0.177272D+01  0.559678D+00 -0.408428D+00 -0.871110D+00
      2  -0.248531D+01 -0.289725D+01 -0.408428D+00  0.206731D+00 -0.101568D+00
      3  -0.289725D+01 -0.380053D+01 -0.871110D+00 -0.101568D+00  0.263730D+00
                76            77            78            79            80 
      1  -0.106260D+01  0.149509D+00  0.427420D-02 -0.159317D+01 -0.103941D+00
      2   0.149509D+00  0.536224D+00 -0.104574D+01 -0.103941D+00 -0.144195D+01
      3   0.427420D-02 -0.104574D+01 -0.286271D-01  0.172168D+00  0.469030D+00
                81            82            83            84            85 
      1   0.172168D+00 -0.122883D+01 -0.749704D+00 -0.938485D+00 -0.119905D+01
      2   0.469030D+00 -0.749704D+00 -0.965251D+00 -0.178857D-01 -0.841088D+00
      3  -0.823624D+01 -0.938485D+00 -0.178857D-01 -0.275009D+00 -0.673054D-01
                86            87            88            89            90 
      1  -0.841088D+00 -0.673054D-01 -0.140247D+01 -0.946491D-01 -0.114733D+00
      2  -0.662340D+01 -0.155996D+01 -0.946491D-01 -0.162618D+01 -0.145890D+01
      3  -0.155996D+01 -0.182452D+01 -0.114733D+00 -0.145890D+01 -0.631187D+00
                91            92            93            94            95 
      1  -0.839777D+01 -0.910011D+00  0.242567D+01 -0.367248D+01 -0.137678D+01
      2  -0.910011D+00 -0.144999D+01  0.128641D+00 -0.137678D+01 -0.685632D+00
      3   0.242567D+01  0.128641D+00 -0.183178D+01  0.125518D+01  0.494490D+00
                96            97            98            99           100 
      1   0.125518D+01  0.157676D+01  0.271923D+00 -0.128277D+01 -0.176481D+01
      2   0.494490D+00  0.271923D+00  0.488894D+00 -0.903871D-01  0.232229D+01
      3  -0.877880D+00 -0.128277D+01 -0.903871D-01  0.124657D+01 -0.989509D+00
               101           102           103           104           105 
      1   0.232229D+01 -0.989509D+00  0.230242D+01 -0.256790D+01  0.887361D+00
      2  -0.319891D+01  0.110654D+01 -0.256790D+01  0.493858D+01 -0.139546D+01
      3   0.110654D+01 -0.109492D+01  0.887361D+00 -0.139546D+01  0.128801D+01
               106           107           108           109           110 
      1  -0.176466D+01  0.137968D+01 -0.114028D+01 -0.141235D+00  0.499852D+00
      2   0.137968D+01 -0.247294D+01  0.154825D+01  0.499852D+00 -0.218632D+00
      3  -0.114028D+01  0.154825D+01 -0.144771D+01  0.184433D+00 -0.340420D+00
               111           112           113           114           115 
      1   0.184433D+00  0.395562D+00 -0.148453D+00 -0.355012D+00  0.115292D+01
      2  -0.340420D+00 -0.148453D+00  0.107589D+01  0.848651D+00 -0.479918D+00
      3  -0.661864D+00 -0.355012D+00  0.848651D+00  0.845675D+00 -0.697330D+00
               116           117           118           119           120 
      1  -0.479918D+00 -0.697330D+00  0.934667D+00  0.615827D+00  0.110980D+01
      2   0.224795D+01  0.132534D+01  0.615827D+00  0.131351D+01  0.501434D+00
      3   0.132534D+01  0.516606D+01  0.110980D+01  0.501434D+00  0.101056D+01
               121           122           123           124           125 
      1   0.138536D+01  0.111599D+01  0.831680D+00  0.980385D+00  0.392032D+00
      2   0.111599D+01  0.454924D+01  0.208197D+01  0.392032D+00  0.173232D+01
      3   0.831680D+00  0.208197D+01  0.312733D+01  0.552565D+00  0.148416D+01
               126           127           128           129           130 
      1   0.552565D+00 -0.519968D+01 -0.127951D+01  0.222919D+01 -0.138285D+01
      2   0.148416D+01 -0.127951D+01 -0.115795D+01  0.927226D+00 -0.605783D+00
      3   0.201950D+01  0.222919D+01  0.927226D+00 -0.324054D+01  0.555199D+00
               131           132           133           134           135 
      1  -0.605783D+00  0.555199D+00  0.190318D+01  0.499033D+00 -0.176690D+01
      2  -0.951097D+00  0.122147D+01  0.499033D+00  0.987448D+00 -0.704303D+00
      3   0.122147D+01 -0.108795D+01 -0.176690D+01 -0.704303D+00  0.240566D+01
               136           137           138           139           140 
      1   0.382703D+01 -0.248887D+01  0.229987D+01 -0.283961D+01  0.248914D+01
      2  -0.248887D+01  0.257678D+01 -0.132322D+01  0.248914D+01 -0.341689D+01
      3   0.229987D+01 -0.132322D+01  0.229760D+01 -0.132848D+01  0.221909D+01
               141           142           143           144           145 
      1  -0.132848D+01  0.142369D+01 -0.866284D+00  0.143416D+01  0.145616D+01
      2   0.221909D+01 -0.866284D+00  0.150417D+01 -0.134569D+01  0.121792D+01
      3  -0.224683D+01  0.143416D+01 -0.134569D+01  0.180254D+01  0.433179D+00
               146           147           148           149           150 
      1   0.121792D+01  0.433179D+00  0.295851D+01  0.215334D+01 -0.145876D+00
      2   0.160443D+01  0.580887D-01  0.215334D+01  0.559832D+01  0.581312D+00
      3   0.580887D-01  0.325147D+00 -0.145876D+00  0.581312D+00  0.139946D+01
               151           152           153           154           155 
      1   0.128058D+01  0.315728D+00  0.484773D+00  0.665832D+01 -0.277499D+01
      2   0.315728D+00  0.114780D+01  0.786330D+00 -0.277499D+01  0.223406D+01
      3   0.484773D+00  0.786330D+00 -0.783528D-01  0.862963D+00 -0.335755D+00
               156           157           158           159           160 
      1   0.862963D+00 -0.456028D+01  0.283243D+01 -0.229378D+00  0.264458D+01
      2  -0.335755D+00  0.283243D+01 -0.242374D+01  0.602921D+00 -0.690460D+00
      3   0.107817D+01 -0.229378D+00  0.602921D+00 -0.117542D+01  0.110899D+01
               161           162           163           164           165 
      1  -0.690460D+00  0.110899D+01  0.284634D+00 -0.236879D+00 -0.769668D+00
      2   0.973306D+00 -0.718505D+00 -0.236879D+00  0.233584D+00  0.400272D-01
      3  -0.718505D+00  0.231545D+00 -0.769668D+00  0.400272D-01  0.131350D+00
               166           167           168           169           170 
      1  -0.522702D+00  0.641269D+00  0.597615D-01 -0.213047D+01  0.461591D-01
      2   0.641269D+00  0.122665D+00 -0.868956D+00  0.461591D-01 -0.118146D+01
      3   0.597615D-01 -0.868956D+00 -0.399992D+00  0.199996D+01 -0.116560D+00
               171 
      1   0.199996D+01
      2  -0.116560D+00
      3  -0.931496D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.264566D+01  0.231375D+01  0.159476D+00  0.324284D+01  0.214471D+01
      2  -0.885538D+01  0.285826D+01  0.334135D+00  0.378796D+01 -0.829709D+01
      3  -0.780789D+01  0.563365D+01  0.420361D+00  0.128622D+02  0.103762D+02
                 6             7             8             9            10 
      1  -0.565257D+00  0.659244D+00  0.317169D+01 -0.454762D+00  0.322425D+01
      2   0.109770D+01 -0.873786D+01  0.846626D+00  0.206274D+02  0.729007D+01
      3   0.467024D+01 -0.115208D+01  0.557580D+01 -0.117964D+01  0.299723D+01
                11            12            13            14            15 
      1  -0.409265D+00  0.158729D-01 -0.757677D+00  0.316080D+01 -0.411878D+01
      2  -0.748468D+00  0.414228D+01 -0.393010D+01  0.340969D+01  0.196645D+00
      3  -0.390822D+01 -0.118830D+01  0.159325D+01 -0.894850D+01 -0.399392D+01
                16            17            18            19            20 
      1  -0.369698D+00  0.222462D+01 -0.260291D+01 -0.384149D+01  0.170043D+00
      2  -0.225316D+01  0.117828D+01 -0.510413D+01 -0.975861D-01  0.719337D+00
      3  -0.705208D+00 -0.333453D+01 -0.222030D+00  0.226809D+00 -0.451258D+01
                21            22            23            24            25 
      1  -0.124195D+01 -0.108952D+01  0.836645D+00  0.229665D+01 -0.187004D+00
      2   0.565627D+00  0.645414D+01 -0.518045D+00  0.128132D+01 -0.628918D+01
      3   0.144756D+01  0.911312D+00  0.389949D+00  0.279786D+01 -0.927886D+00
                26            27            28            29            30 
      1   0.527463D+01 -0.172582D+01  0.850011D+00  0.464727D+00  0.203007D+01
      2  -0.375466D+00 -0.256980D+01 -0.905430D+01 -0.456465D+00 -0.278740D+01
      3   0.142687D+01  0.742440D-02 -0.580217D+01  0.170844D+01 -0.169979D+01
                31            32            33            34            35 
      1   0.219892D+01 -0.647610D+01  0.951030D+00 -0.224708D+01  0.211077D+01
      2   0.931010D+01 -0.756576D+00 -0.516181D+01 -0.110658D+02 -0.293462D+01
      3   0.445329D+01  0.975063D+01  0.151817D-01 -0.600485D+01 -0.228954D+01
                36            37            38            39            40 
      1   0.823372D+01  0.786418D+00  0.353226D-01  0.168319D+01  0.185234D+01
      2   0.389291D+01  0.133295D+01 -0.703048D-01  0.189031D+01 -0.978674D+00
      3   0.195932D+01  0.579765D+01 -0.129425D+01 -0.795263D+00  0.437810D+01
                41            42            43            44            45 
      1   0.267931D+01 -0.285755D+01  0.103315D+01  0.366154D+01 -0.175515D+01
      2  -0.343835D+01 -0.334666D+01 -0.121269D+01 -0.286584D+01 -0.745362D+01
      3   0.924627D+01  0.159358D+01  0.233103D+01  0.232559D+01  0.189774D+01
                46            47            48            49            50 
      1   0.342886D+01 -0.578316D+01  0.772911D+00 -0.583297D+01 -0.578743D+01
      2  -0.970767D+01 -0.651761D+01  0.122015D+02 -0.512105D+01  0.818441D+00
      3  -0.588685D+01 -0.317383D+00  0.246990D+01  0.379931D+01  0.482642D+01
                51            52            53            54            55 
      1  -0.106641D+02  0.315269D-01 -0.446063D+01  0.246830D+01 -0.172056D+01
      2  -0.365587D+00  0.542641D+01 -0.581015D+00  0.279038D+01  0.920455D+00
      3   0.447791D+01  0.235066D+01  0.368031D+01  0.471301D+00  0.696747D+01
                56            57            58            59            60 
      1   0.111348D+01 -0.578097D+01  0.114667D+01 -0.458608D+01 -0.343601D+01
      2   0.129357D+01  0.450697D+01 -0.132922D+01  0.989567D-01  0.184724D+00
      3  -0.103293D+02  0.151418D+01  0.341071D+01  0.707609D+01 -0.285395D+01
                61            62            63            64            65 
      1  -0.420523D+01  0.646791D+01  0.860262D+01  0.170289D+01  0.246936D+01
      2  -0.105497D+01  0.330387D+00 -0.507398D+00  0.726860D+00  0.519016D+00
      3   0.290339D+01 -0.200553D+01  0.534043D+01  0.131323D+01 -0.532080D+01
                66            67            68            69            70 
      1  -0.325836D+01  0.436940D+00  0.509428D+01 -0.735105D+01  0.915626D+00
      2   0.573048D+01 -0.841468D+01  0.249964D+01  0.620362D+01 -0.391201D+00
      3  -0.104817D+01  0.476202D+01 -0.156494D+02 -0.345756D+01  0.117053D+01
                71            72            73            74            75 
      1   0.356489D+01 -0.320064D+01  0.831459D+00 -0.285467D+00  0.186975D-01
      2   0.548457D+01  0.435445D+01  0.115962D+01 -0.298716D+00  0.127025D+00
      3  -0.221405D+01 -0.468095D+01  0.100118D+01 -0.431582D+00 -0.715213D+00
                76            77            78            79            80 
      1   0.233577D-01 -0.641412D+00 -0.246278D+00  0.749828D-01  0.349066D+01
      2  -0.889536D+00  0.445440D+00 -0.181093D-02 -0.398517D+01  0.627666D-01
      3   0.125975D+01  0.732691D-01 -0.514643D+00 -0.481742D+00 -0.438910D+00
                81            82            83            84            85 
      1   0.170809D+01 -0.134414D+01  0.168376D+00 -0.585796D+00 -0.150005D+00
      2   0.890191D+00 -0.201730D+01 -0.319135D+00 -0.661929D-02 -0.928616D+00
      3   0.295596D-01  0.326201D+01  0.104279D+01  0.100152D+01  0.536331D+01
                86            87            88            89            90 
      1   0.183367D+00 -0.363967D+01 -0.224760D+00  0.361083D+00 -0.523411D+00
      2  -0.173689D+01 -0.174191D+01 -0.227530D+01 -0.159099D+01 -0.699568D+00
      3   0.802194D+01  0.207953D+01  0.213719D+01  0.197755D+01  0.188712D+01
                91            92            93            94            95 
      1  -0.165662D+01 -0.146649D+01  0.262272D+00 -0.580931D+00 -0.105960D+01
      2  -0.100118D+01  0.487902D+00  0.447665D+01 -0.118614D+01 -0.422027D+00
      3  -0.423917D+01 -0.504728D+01  0.125677D+01 -0.248529D+01 -0.331483D+01
                96            97            98            99           100 
      1  -0.328149D+00  0.865745D+00  0.488853D+00 -0.465053D+00  0.130281D+01
      2   0.254300D+01  0.681031D+00  0.394940D+00 -0.174456D+01 -0.120866D+01
      3   0.744703D+00  0.179628D+01  0.152191D+01 -0.796638D+00 -0.546786D+01
               101           102           103           104           105 
      1  -0.173675D+01  0.336380D+01 -0.153627D+01  0.141857D+01 -0.340923D+01
      2   0.482582D+00  0.537270D+00  0.764239D+00 -0.516278D+00 -0.419027D+00
      3   0.402571D+01 -0.232568D+01  0.758899D+01 -0.570269D+01  0.268841D+01
               106           107           108           109           110 
      1   0.202208D+01 -0.136137D+01  0.242933D+01 -0.473744D+00  0.898551D+00
      2  -0.153214D+01  0.253798D+00 -0.190539D-01  0.750592D+00  0.128448D+00
      3  -0.465089D+01  0.329243D+01 -0.294475D+01 -0.531657D+00  0.838231D-01
               111           112           113           114           115 
      1   0.181679D+01  0.108855D+01 -0.212520D+01 -0.223651D+01  0.160876D+01
      2  -0.289270D+00  0.132371D+00 -0.103846D+00  0.370192D+00 -0.269969D+01
      3   0.566221D+00  0.104785D+01 -0.602242D+00 -0.101661D+01  0.323415D+01
               116           117           118           119           120 
      1  -0.120757D+01 -0.138865D+02  0.166639D+01  0.289371D+01  0.104396D+01
      2   0.372177D+00  0.833410D+00  0.155838D+00 -0.368484D+00  0.676588D+00
      3  -0.109662D+01 -0.221479D+01 -0.485526D+00 -0.274262D+01 -0.107686D+01
               121           122           123           124           125 
      1   0.207238D+01  0.122548D+02  0.315817D+01  0.128691D+01  0.559200D+01
      2  -0.256677D+01  0.985695D+00  0.334983D+01 -0.221579D+01  0.106735D+01
      3   0.162330D+00 -0.754129D+01 -0.261915D+01 -0.494145D+00 -0.231591D+01
               126           127           128           129           130 
      1   0.347447D+01 -0.555833D+00 -0.249418D+01 -0.144399D+01 -0.852402D+00
      2   0.156255D+01  0.154664D+02  0.327188D+01 -0.524949D+01  0.345937D+01
      3  -0.218211D+01  0.615387D+01  0.357378D+00 -0.220166D+01  0.291949D+01
               131           132           133           134           135 
      1  -0.537908D+00  0.349969D+00 -0.438693D+00  0.253185D+01  0.456573D+00
      2   0.232166D+01 -0.164341D+01 -0.751168D+01 -0.181951D+01  0.499734D+01
      3   0.948793D+00 -0.159344D+01 -0.206124D+01 -0.582028D+00  0.199870D+01
               136           137           138           139           140 
      1  -0.270465D+01  0.462051D+01  0.438499D+00  0.338044D+01 -0.461462D+01
      2  -0.402581D+01  0.248222D+01  0.153121D+01  0.409845D+01 -0.124965D+01
      3  -0.968812D-01 -0.330065D+01  0.424406D+00  0.535773D+00  0.341476D+01
               141           142           143           144           145 
      1   0.177719D+00 -0.782869D+00  0.290405D+01 -0.762097D+00 -0.100391D+01
      2  -0.163566D+01 -0.261985D+01  0.800273D-01  0.256619D+00  0.230586D+01
      3  -0.201481D+01 -0.513685D+00 -0.185549D+01  0.726343D+00 -0.386615D+01
               146           147           148           149           150 
      1  -0.138427D+01 -0.646930D+00 -0.135896D+01 -0.422007D+01 -0.273696D+01
      2   0.109774D+01  0.193198D+01  0.133159D+01  0.393971D+01  0.479971D+01
      3  -0.499271D+01 -0.974577D-01 -0.267868D+01 -0.181081D+02 -0.219876D+01
               151           152           153           154           155 
      1  -0.396105D+00  0.801872D-01 -0.825910D+00  0.212208D+01 -0.146477D+01
      2   0.613456D+00  0.230107D+01  0.510889D+00  0.703270D+01 -0.337939D+01
      3  -0.170406D+00 -0.384315D+01 -0.199987D+01  0.518478D+01 -0.805175D+01
               156           157           158           159           160 
      1   0.139618D+01 -0.175530D+01  0.159349D+01 -0.232084D+01  0.679432D+00
      2   0.600760D+01 -0.361037D+01  0.388030D+01 -0.478132D+01  0.344710D+01
      3   0.975524D+00 -0.522744D+01  0.696735D+01 -0.185121D+01  0.967182D+00
               161           162           163           164           165 
      1  -0.131972D+00  0.919017D+00  0.314347D-01 -0.123464D+00 -0.437222D-01
      2  -0.245545D+01  0.207734D+01 -0.235778D+01 -0.192161D+00  0.991805D+00
      3  -0.332454D+01  0.177160D+01  0.757666D+00 -0.125313D+01  0.820972D-01
               166           167           168           169           170 
      1  -0.344060D+00 -0.307749D+00 -0.341833D+00  0.196247D+00  0.388726D+01
      2  -0.383049D+00 -0.136077D+01 -0.929537D+00 -0.446182D+00 -0.271792D+00
      3  -0.533611D+00 -0.701948D+00  0.186308D+01  0.271721D+00  0.349983D+01
               171 
      1  -0.110004D+01
      2  -0.235118D+02
      3   0.131246D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.183532D+01  0.163938D+02 -0.175062D+02  0.199564D+02 -0.210242D+02
      2  -0.441163D+01 -0.669762D+01  0.769777D+01 -0.959530D+01  0.578509D+01
      3   0.624695D+01 -0.969622D+01  0.980847D+01 -0.103611D+02  0.152391D+02
      4   0.198100D+02 -0.172255D+02  0.232303D+01 -0.246397D+02 -0.146735D+02
      5  -0.177807D+02 -0.720952D+00  0.443098D+01 -0.164064D+01 -0.850815D+01
      6  -0.853040D+00  0.203700D+01 -0.149245D+00  0.168503D+01  0.377470D+01
                 6             7             8             9            10 
      1   0.694143D+00 -0.207995D+02  0.252345D+01  0.973630D+01 -0.829496D+01
      2   0.420528D+00  0.632115D+01 -0.599475D+00  0.941408D+01  0.415726D+00
      3  -0.111467D+01  0.144783D+02 -0.192398D+01 -0.191504D+02  0.787923D+01
      4  -0.984294D+01  0.436344D+01 -0.114599D+02  0.298698D+01 -0.706116D+01
      5   0.127738D+01  0.580445D+00  0.163515D+01  0.314060D+02  0.117107D+02
      6   0.175438D+01  0.590493D+00  0.165311D+01 -0.496722D+01 -0.475477D+01
                11            12            13            14            15 
      1  -0.472702D+01  0.106430D+02 -0.621510D+01  0.141131D+02  0.351959D+01
      2   0.103724D+01 -0.755852D+01  0.262103D+01 -0.170669D+02 -0.647285D+01
      3   0.368978D+01 -0.308447D+01  0.359407D+01  0.295378D+01  0.295326D+01
      4   0.658185D+01 -0.213540D+01  0.155986D+02  0.589722D+01  0.520193D+01
      5   0.872287D+00 -0.882146D+00  0.289984D+01  0.525461D+01  0.164689D+01
      6   0.332731D+00  0.246269D+00  0.922129D+00 -0.773964D+01  0.237733D+01
                16            17            18            19            20 
      1   0.148423D+02  0.253902D+01  0.423415D+01 -0.119161D+02 -0.257721D+01
      2  -0.700863D+01 -0.319013D+01 -0.106857D+01  0.163032D+02  0.313771D+01
      3  -0.783364D+01  0.651113D+00 -0.316557D+01 -0.438712D+01 -0.560506D+00
      4  -0.231823D+01  0.511530D+01  0.154844D+01  0.521643D+01  0.354313D+01
      5  -0.962666D+00  0.250011D+01 -0.129123D+02  0.318621D+01 -0.442963D+00
      6  -0.375612D+00 -0.231102D+01  0.231410D+01  0.351044D+01 -0.722676D+00
                21            22            23            24            25 
      1   0.111996D+01 -0.665049D+00  0.767283D+00  0.298581D+01 -0.738292D+01
      2   0.474596D+00 -0.320343D+00 -0.491681D+01 -0.169591D+01  0.177735D+01
      3  -0.159456D+01  0.985392D+00  0.414952D+01 -0.128990D+01  0.560558D+01
      4   0.182099D+01 -0.114583D+02  0.108624D+01  0.305416D+00 -0.828084D+00
      5   0.872308D+00  0.202189D+01  0.775692D+00  0.391087D+00  0.108189D+01
      6   0.403651D+00  0.414385D-01  0.182510D+01 -0.428952D+01 -0.158073D+01
                26            27            28            29            30 
      1   0.213694D+01  0.982477D+01  0.442492D+01  0.102829D+02 -0.151435D+01
      2  -0.584271D+01  0.119429D+02 -0.855202D+01 -0.964848D+01 -0.309291D+01
      3   0.370577D+01 -0.217676D+02  0.412709D+01 -0.634467D+00  0.460726D+01
      4  -0.254476D+01 -0.390389D+00 -0.302020D-01 -0.107695D+02 -0.771109D+01
      5  -0.174834D+01  0.195811D+01 -0.340980D+01 -0.840041D+01 -0.971688D+01
      6   0.125208D+01  0.397208D+01 -0.630827D+01 -0.178106D+01 -0.347725D+01
                31            32            33            34            35 
      1  -0.249699D+01  0.477242D+01  0.152032D+01 -0.467270D+01 -0.517261D+01
      2  -0.311182D+01 -0.133265D+02  0.569468D+01  0.692787D+00 -0.215506D+01
      3   0.560880D+01  0.855403D+01 -0.721501D+01  0.397991D+01  0.732767D+01
      4  -0.176940D+02 -0.203048D+02 -0.504567D+01 -0.159752D+02 -0.171792D+01
      5  -0.157038D+02 -0.761195D+01 -0.101536D+02 -0.487191D+01 -0.355912D+01
      6  -0.204992D+01 -0.894336D+01 -0.615781D+01 -0.322809D-01 -0.140052D+00
                36            37            38            39            40 
      1  -0.240075D+01 -0.139044D+02 -0.145106D+02  0.480217D+01 -0.230977D+02
      2   0.136951D+00  0.947913D+01  0.711108D+01  0.228042D+00  0.125939D+02
      3   0.226379D+01  0.442530D+01  0.739947D+01 -0.503022D+01  0.105039D+02
      4  -0.271867D+01 -0.184876D+02  0.762617D+01  0.559662D+01  0.107362D+02
      5   0.366081D+01  0.553075D+01  0.566679D+01  0.431226D+01  0.115787D+02
      6  -0.720761D+01  0.492213D+01 -0.408480D+00 -0.363331D+01 -0.113993D+01
                41            42            43            44            45 
      1  -0.204415D+01  0.369566D+01  0.385854D+01  0.207631D+01 -0.375555D+01
      2   0.652031D+01 -0.477448D+01 -0.152261D+01 -0.122082D+01 -0.733056D+01
      3  -0.447616D+01  0.107882D+01 -0.233593D+01 -0.855483D+00  0.110861D+02
      4  -0.151931D+02 -0.498566D+01  0.834907D+01 -0.512310D+01 -0.716609D+01
      5  -0.306124D+01 -0.833764D+01  0.916634D+01 -0.661434D+01 -0.152175D+02
      6   0.390499D+01  0.623312D+01 -0.332531D+01  0.540977D+01  0.335244D+01
                46            47            48            49            50 
      1   0.120018D+02  0.771114D+01 -0.102755D+02  0.668419D+01 -0.360036D+01
      2  -0.213827D+01 -0.209209D+00  0.363348D+01 -0.218622D+00  0.974294D+01
      3  -0.986355D+01 -0.750193D+01  0.664206D+01 -0.646557D+01 -0.614257D+01
      4   0.614689D+01 -0.138228D+02  0.792047D+01 -0.150958D+02 -0.934513D+00
      5  -0.464540D+01  0.100157D+02 -0.111576D+02  0.872343D+01 -0.181301D+02
      6   0.153236D+02 -0.101963D+02 -0.117083D+01 -0.115361D+02 -0.352180D+01
                51            52            53            54            55 
      1   0.161940D+01 -0.899663D+01 -0.309538D-01 -0.791999D+01  0.120703D+02
      2   0.377843D+01  0.272614D+01  0.389208D+01 -0.568830D+01 -0.113402D+02
      3  -0.539783D+01  0.627049D+01 -0.386112D+01  0.136083D+02 -0.730064D+00
      4  -0.117483D+02  0.614547D+01 -0.838405D+01 -0.140580D+01  0.573923D+01
      5  -0.732660D+00 -0.109964D+02 -0.219493D+01  0.892617D+01 -0.227323D+01
      6  -0.134139D+02 -0.508537D+00 -0.969999D+01 -0.241014D+01  0.415805D+01
                56            57            58            59            60 
      1  -0.956684D+01  0.556098D+00 -0.769237D+01 -0.116120D+02 -0.305820D+01
      2   0.156846D+02 -0.292261D+01  0.142337D+02  0.199196D+02  0.526004D+01
      3  -0.611777D+01  0.236651D+01 -0.654137D+01 -0.830764D+01 -0.220184D+01
      4  -0.428776D+01  0.321530D+01  0.355884D+01  0.136820D+02 -0.369539D+01
      5   0.222244D+01  0.237136D+01  0.409958D+00 -0.283294D+01  0.142384D+01
      6  -0.552987D+01  0.887042D+01 -0.552970D+01  0.465774D+01  0.229703D+01
                61            62            63            64            65 
      1   0.306721D+01 -0.810344D+00  0.163221D+01  0.167178D+02  0.657963D+01
      2  -0.345567D+01  0.563041D+01 -0.430248D+01 -0.584646D+01  0.123744D+01
      3   0.388465D+00 -0.482007D+01  0.267026D+01 -0.108714D+02 -0.781707D+01
      4   0.409421D+01 -0.263780D+01  0.823097D+01  0.180291D+02  0.199404D+02
      5   0.355759D+01  0.331201D+01 -0.111432D+01  0.124034D+02  0.903783D+01
      6   0.954180D+01 -0.687205D+00 -0.121098D+02  0.550877D+01  0.429332D+01
                66            67            68            69            70 
      1   0.323643D+01  0.992485D+01 -0.131998D+02 -0.569159D+01  0.659397D+01
      2  -0.305441D+01  0.541752D+00  0.302571D+02  0.225218D+01 -0.348655D+01
      3  -0.182016D+00 -0.104666D+02 -0.170573D+02  0.343941D+01 -0.310742D+01
      4   0.795734D+01  0.270307D+02  0.403298D+02  0.107833D+02  0.931616D+01
      5   0.146760D+02  0.104960D+02  0.139664D+02  0.147020D+02  0.151255D+02
      6   0.563849D+01  0.586471D+01  0.144773D+02  0.150847D+02  0.595800D+01
                71            72            73            74            75 
      1  -0.268082D+01 -0.542444D+01  0.133346D+01 -0.159685D+00 -0.314097D+00
      2   0.185765D+01 -0.303660D+01 -0.465062D+01  0.371359D+00  0.390327D+00
      3   0.823172D+00  0.846105D+01  0.331716D+01 -0.211674D+00 -0.762300D-01
      4   0.862744D+01  0.122143D+02 -0.641927D+00  0.122954D+01 -0.116488D+01
      5   0.132788D+02  0.167734D+02 -0.124511D+01 -0.470028D+00  0.583325D+01
      6   0.135377D+02  0.114855D+02 -0.124481D+01  0.147312D+00  0.344614D+00
                76            77            78            79            80 
      1   0.799990D+00 -0.393244D+01  0.210850D+00  0.108558D+01  0.266904D+01
      2   0.498774D+00  0.672970D+00 -0.120948D+01  0.740106D+00 -0.129451D+01
      3  -0.129876D+01  0.325947D+01  0.998634D+00 -0.182569D+01 -0.137453D+01
      4   0.262003D+01 -0.273590D+00 -0.161908D+00 -0.175334D-01  0.600203D+00
      5   0.309864D-01 -0.500710D+00 -0.321921D+00  0.561889D+01  0.483751D+00
      6   0.126238D+00 -0.104009D+01  0.666718D+01  0.128025D+00  0.532650D+01
                81            82            83            84            85 
      1  -0.192154D+02 -0.494087D+00 -0.257118D+01 -0.211872D+01 -0.422556D+01
      2  -0.161684D+02  0.339320D+01  0.302361D+01  0.174840D+01  0.408634D+01
      3   0.353838D+02 -0.289912D+01 -0.452432D+00  0.370314D+00  0.139227D+00
      4  -0.387853D+00  0.238786D+00  0.327812D+01  0.107274D+01  0.275184D+01
      5  -0.329432D+00 -0.149186D+01  0.733874D+00  0.108540D+01  0.101575D+01
      6  -0.663848D+01  0.192243D+01  0.884430D+00  0.729903D+00  0.731370D+00
                86            87            88            89            90 
      1  -0.171209D+02 -0.270550D+01 -0.358288D+01 -0.401877D+01 -0.498971D+01
      2   0.275012D+02  0.556603D+01  0.210367D+01  0.436347D+01  0.296791D+01
      3  -0.103803D+02 -0.286053D+01  0.147922D+01 -0.344696D+00  0.202181D+01
      4  -0.105624D+02 -0.277992D+01  0.491345D+00 -0.292147D+01 -0.209220D+01
      5  -0.285038D+01 -0.393792D+01  0.223300D+01 -0.247886D+01 -0.631633D+00
      6   0.850526D+01  0.672214D+01  0.112575D+01  0.800798D+01  0.465624D+01
                91            92            93            94            95 
      1   0.456471D+02  0.534708D+01 -0.112672D+02  0.179374D+02  0.577535D+01
      2  -0.260213D+02 -0.347348D+01  0.776227D+01 -0.992061D+01 -0.258134D+01
      3  -0.196258D+02 -0.187360D+01  0.350492D+01 -0.801679D+01 -0.319401D+01
      4   0.460853D+01  0.655265D+01 -0.115354D+01  0.925948D+01  0.445695D+01
      5  -0.172001D+02 -0.157926D+01  0.106262D+02 -0.804557D+01 -0.351313D+01
      6  -0.282041D+01 -0.974739D+00  0.117068D+01 -0.346847D+01 -0.190801D+01
                96            97            98            99           100 
      1  -0.521036D+01 -0.486827D+01 -0.458753D+00  0.510105D+01 -0.229626D+01
      2   0.355736D+01  0.443026D+01  0.616457D+00 -0.481287D+01  0.774296D+01
      3   0.165299D+01  0.438008D+00 -0.157704D+00 -0.288177D+00 -0.544670D+01
      4  -0.317868D+01 -0.727112D+00 -0.172025D+01  0.688321D+00 -0.858981D+01
      5   0.505681D+01  0.961229D+01  0.128695D+01 -0.659299D+01  0.294942D+01
      6   0.221748D+01  0.686421D+00  0.132665D+01 -0.853076D+00 -0.560766D+01
               101           102           103           104           105 
      1   0.793223D+01 -0.248884D+01  0.616724D+01 -0.130204D+02  0.391353D+01
      2  -0.151918D+02  0.394331D+01 -0.115893D+02  0.239785D+02 -0.645133D+01
      3   0.725957D+01 -0.145447D+01  0.542204D+01 -0.109581D+02  0.253781D+01
      4   0.128211D+02 -0.473471D+01  0.117822D+02 -0.121103D+02  0.425069D+01
      5  -0.279988D+01  0.317143D+01 -0.164183D+01  0.273817D+01 -0.147740D+01
      6   0.769887D+01 -0.630431D+01  0.584354D+01 -0.963225D+01  0.731118D+01
               106           107           108           109           110 
      1  -0.376678D+01  0.603673D+01 -0.518186D+01 -0.120219D+01  0.146907D+01
      2   0.487891D+01 -0.853178D+01  0.460315D+01  0.157231D+01 -0.154236D+01
      3  -0.111213D+01  0.249505D+01  0.578702D+00 -0.370120D+00  0.732902D-01
      4  -0.633332D+01  0.582636D+01 -0.487440D+01  0.385558D+00  0.314631D+01
      5   0.330272D+01 -0.245426D+01  0.247137D+01 -0.108782D+01 -0.337630D+00
      6  -0.618140D+01  0.988224D+01 -0.730914D+01  0.379968D+00 -0.215380D+01
               111           112           113           114           115 
      1   0.162660D+01  0.103347D+01 -0.343392D+01 -0.251827D+01  0.931793D+00
      2  -0.999190D+00 -0.900805D+00  0.466738D+01  0.296949D+01 -0.122127D+01
      3  -0.627406D+00 -0.132660D+00 -0.123346D+01 -0.451213D+00  0.289475D+00
      4   0.455223D+00  0.306427D+01 -0.869468D+00 -0.117787D+01  0.383646D+01
      5   0.168495D+01  0.743132D-01 -0.294771D+00 -0.336396D+00  0.135314D+01
      6  -0.307420D+01 -0.143822D+01  0.301427D+01  0.626377D+01 -0.349210D+01
               116           117           118           119           120 
      1  -0.619963D+01 -0.746793D+01  0.234651D+01  0.180272D+01  0.159803D+01
      2   0.798957D+01  0.121842D+01 -0.321202D+01 -0.244403D+01 -0.359723D+01
      3  -0.178994D+01  0.624951D+01  0.865518D+00  0.641312D+00  0.199920D+01
      4  -0.160303D+01 -0.325435D+01  0.327163D+01  0.646467D+01  0.141103D+01
      5  -0.118273D+01 -0.938543D+00  0.598796D+01  0.367296D+01  0.790686D+01
      6   0.743418D+01  0.198503D+02  0.176511D+01  0.510275D+01  0.214602D+01
               121           122           123           124           125 
      1   0.381753D+01 -0.291064D+01 -0.520370D+01  0.120894D+01 -0.285521D+01
      2  -0.439833D+01 -0.127839D+01 -0.705452D+01 -0.268142D+01 -0.404833D+01
      3   0.580808D+00  0.418903D+01  0.122582D+02  0.147248D+01  0.690354D+01
      4   0.606666D+01  0.121198D+02  0.687824D+01  0.806908D+00  0.479005D+01
      5   0.723006D+01  0.100433D+02  0.109953D+02  0.622247D+01  0.553011D+01
      6   0.520713D+01  0.168385D+02  0.105548D+02  0.208363D+01  0.977590D+01
               126           127           128           129           130 
      1  -0.450121D+01 -0.906083D+01 -0.576775D+01  0.126779D+02 -0.452884D+01
      2  -0.530149D+01  0.897976D+00  0.276360D+01  0.218418D+01  0.241466D+01
      3   0.980270D+01  0.816285D+01  0.300414D+01 -0.148621D+02  0.211418D+01
      4   0.420629D+01  0.581101D+01  0.330548D+01 -0.302934D+01  0.435048D+01
      5   0.729377D+01 -0.129023D+02 -0.360040D+01  0.558950D+01 -0.402475D+01
      6   0.683306D+01 -0.690274D+01 -0.613553D+01  0.728458D+01 -0.339189D+01
               131           132           133           134           135 
      1  -0.476591D+01  0.437380D+01  0.850114D+01  0.379360D+01 -0.103085D+02
      2   0.247112D+01 -0.115334D+01  0.120510D+01 -0.967796D+00 -0.349481D+01
      3   0.229479D+01 -0.322045D+01 -0.970624D+01 -0.282580D+01  0.138033D+02
      4   0.130453D+01  0.553662D+00 -0.236239D+01  0.117558D+00  0.208759D+01
      5   0.143758D+00  0.900077D+00  0.778288D+01  0.146952D+01 -0.440487D+01
      6  -0.469568D+01  0.700553D+01  0.448155D+01  0.618168D+01 -0.577891D+01
               136           137           138           139           140 
      1   0.118026D+02 -0.408456D+01  0.171613D+01 -0.535269D+01 -0.227669D+01
      2  -0.684287D+01 -0.345403D+00 -0.527125D+01  0.273630D+00  0.635923D+01
      3  -0.495974D+01  0.442996D+01  0.355512D+01  0.507906D+01 -0.408253D+01
      4  -0.157292D+02  0.146463D+02 -0.829422D+01  0.151970D+02 -0.163994D+02
      5   0.183246D+02 -0.115158D+02  0.157030D+02 -0.126676D+02  0.127914D+02
      6  -0.108592D+02  0.113417D+02 -0.850436D+01  0.104174D+02 -0.150382D+02
               141           142           143           144           145 
      1   0.318751D+01  0.149284D+01  0.215043D+01 -0.179399D+01  0.989498D+01
      2   0.663256D+00 -0.392770D+01  0.780373D+00 -0.393719D+01 -0.196877D+01
      3  -0.385077D+01  0.243486D+01 -0.293081D+01  0.573118D+01 -0.792621D+01
      4   0.932175D+01 -0.511609D+01  0.594080D+01 -0.682919D+01  0.741698D+01
      5  -0.108198D+02  0.115667D+02 -0.739599D+01  0.105002D+02  0.167302D+01
      6   0.129942D+02 -0.614090D+01  0.970757D+01 -0.858491D+01 -0.635331D+00
               146           147           148           149           150 
      1   0.653494D+01  0.284545D+01  0.159168D+02  0.844430D+01  0.234976D+00
      2  -0.155152D+01 -0.937440D+00 -0.577982D+01  0.511407D+01  0.164750D+01
      3  -0.498342D+01 -0.190801D+01 -0.101370D+02 -0.135584D+02 -0.188248D+01
      4   0.131529D+02  0.964254D+00  0.169808D+02  0.316150D+02  0.329781D+01
      5   0.132007D+00  0.245543D+01 -0.179562D+01  0.318967D+01  0.853575D+01
      6  -0.173563D+01  0.464654D+00 -0.141341D+01 -0.450504D+01  0.216869D+01
               151           152           153           154           155 
      1   0.755340D+01  0.136343D+01 -0.159535D+00  0.484721D+02 -0.170604D+02
      2  -0.293507D+01  0.626280D+00 -0.121440D+01 -0.203105D+02  0.529595D+01
      3  -0.461833D+01 -0.198971D+01  0.137394D+01 -0.281616D+02  0.117644D+02
      4   0.232140D+01  0.629723D+01  0.416785D+01 -0.236350D+02  0.183771D+02
      5   0.341308D+01  0.474122D+01  0.551962D-01  0.183184D+01 -0.708106D+00
      6   0.107852D+01  0.228860D+01  0.110434D+01  0.178522D+01 -0.204510D+01
               156           157           158           159           160 
      1   0.622548D+01 -0.261471D+02  0.131069D+02 -0.190031D+01  0.152491D+02
      2  -0.201303D+01  0.893559D+01  0.271615D+00 -0.583370D+00 -0.616784D+01
      3  -0.421246D+01  0.172115D+02 -0.133785D+02  0.248368D+01 -0.908124D+01
      4  -0.271991D+01  0.231501D+02 -0.186249D+02  0.384534D+01 -0.674116D+01
      5   0.844095D+01  0.332524D+00  0.222331D+01 -0.741853D+01  0.794857D+01
      6  -0.128316D+01 -0.183437D+01  0.104324D+01  0.246570D+01 -0.150035D+01
               161           162           163           164           165 
      1  -0.373933D+01  0.436521D+01  0.195306D+01 -0.163626D+01 -0.472200D+01
      2   0.527216D+00 -0.354190D+01 -0.334006D+01  0.745194D+00  0.296408D+01
      3   0.321211D+01 -0.823307D+00  0.138700D+01  0.891063D+00  0.175792D+01
      4   0.690087D+01 -0.507743D+01 -0.145512D+01  0.274170D+01  0.184731D+00
      5  -0.457592D+01  0.261212D+01 -0.393141D+01  0.200238D+00  0.723645D+01
      6   0.163476D+01 -0.101525D+01  0.710512D+00 -0.154888D+00  0.297395D+00
               166           167           168           169           170 
      1  -0.251263D+01  0.427391D+00 -0.986747D+00 -0.873522D+01 -0.641611D+00
      2   0.102773D+01 -0.102203D+01  0.223967D+00  0.911118D+01  0.248004D+00
      3   0.148490D+01  0.594639D+00  0.762780D+00 -0.375956D+00  0.393608D+00
      4   0.498607D+01  0.498455D+00 -0.419165D+01  0.694610D+00 -0.610355D+01
      5   0.706334D+00 -0.382295D+01 -0.139330D+01  0.165109D+02 -0.989005D+00
      6  -0.140677D+01  0.961620D+00  0.638355D+01 -0.149285D+01  0.672150D+01
               171 
      1  -0.115346D+02
      2  -0.201455D+02
      3   0.316801D+02
      4  -0.193440D+01
      5  -0.458854D+02
      6   0.528511D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.643014D+00      0.163438D+01      0.545170D+01
   x         -0.215179D+00     -0.546931D+00     -0.182437D+01
   y          0.445633D+00      0.113269D+01      0.377824D+01
   z          0.410580D+00      0.104359D+01      0.348104D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.744131D+02      0.110269D+02      0.122691D+02
   aniso      0.127471D+02      0.188892D+01      0.210171D+01
   xx         0.821626D+02      0.121752D+02      0.135468D+02
   yx         0.197499D+00      0.292664D-01      0.325632D-01
   yy         0.714152D+02      0.105826D+02      0.117748D+02
   zx        -0.230729D+01     -0.341906D+00     -0.380421D+00
   zy         0.172901D+01      0.256213D+00      0.285076D+00
   zz         0.696614D+02      0.103228D+02      0.114856D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.800623D+02      0.118640D+02      0.132005D+02
   aniso      0.137057D+02      0.203098D+01      0.225977D+01
   xx         0.882454D+02      0.130766D+02      0.145497D+02
   yx         0.104413D+01      0.154724D+00      0.172154D+00
   yy         0.773019D+02      0.114550D+02      0.127454D+02
   zx        -0.236981D+01     -0.351170D+00     -0.390729D+00
   zy         0.197864D+01      0.293204D+00      0.326234D+00
   zz         0.746396D+02      0.110604D+02      0.123064D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          3.87718730          1.31020045         -2.52720801
     6          1.77602786         -0.36299512         -1.47478591
     6         -0.28594311          1.26872684         -0.18610081
     6         -2.63279675         -0.36241919          0.21775983
     8         -3.15548669         -0.81117053          2.68345905
     6          2.83061932         -2.37902118          0.30748124
     7          0.68495975          2.58499014          2.01968707
     8         -3.90793615         -1.21219701         -1.46379190
     1         -0.86963823          2.68901175         -1.56671539
     1          0.83829038         -1.31552143         -3.04855986
     1         -4.64046715         -1.88650245          2.71446645
     1         -0.56638850          3.89192806          2.63872687
     1          0.97246728          1.36981011          3.46875961
     1          3.85124092         -1.52189281          1.88337496
     1          1.34547787         -3.58677578          1.07845712
     1          4.16130300         -3.59157246         -0.69699099
     1          4.78292724          2.37875489         -1.01680800
     1          5.30984503          0.16172798         -3.46738994
     1          3.13704265          2.65609256         -3.90534545

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.643014D+00      0.163438D+01      0.545170D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.643014D+00      0.163438D+01      0.545170D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.744131D+02      0.110269D+02      0.122691D+02
   aniso      0.127471D+02      0.188892D+01      0.210171D+01
   xx         0.793245D+02      0.117547D+02      0.130789D+02
   yx         0.357787D+01      0.530185D+00      0.589911D+00
   yy         0.695863D+02      0.103116D+02      0.114732D+02
   zx        -0.416425D+01     -0.617078D+00     -0.686591D+00
   zy        -0.553972D+00     -0.820901D-01     -0.913376D-01
   zz         0.743284D+02      0.110143D+02      0.122551D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.800623D+02      0.118640D+02      0.132005D+02
   aniso      0.137057D+02      0.203098D+01      0.225977D+01
   xx         0.854877D+02      0.126680D+02      0.140950D+02
   yx         0.446091D+01      0.661038D+00      0.735504D+00
   yy         0.749777D+02      0.111105D+02      0.123622D+02
   zx        -0.386269D+01     -0.572392D+00     -0.636872D+00
   zy        -0.305827D+00     -0.453189D-01     -0.504240D-01
   zz         0.797216D+02      0.118135D+02      0.131443D+02

 ----------------------------------------------------------------------

 Test job not archived.
 1\1\GINC-CPN-U22-28\Freq\RLC-PBEPBE\Gen\C5H11N1O2\PIERPA\16-Aug-2021\0
 \\#P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tight
 ) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=0337000
 000,3/108=0337000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131=
 -1)\\ROA calculations.\\0,1\C,2.457159,-0.146332,-0.647837\C,1.109574,
 -0.543619,-0.050687\C,-0.012989,0.384911,-0.578811\C,-1.363704,-0.2529
 03,-0.259735\O,-2.091645,0.444358,0.645421\C,1.162885,-0.565114,1.4776
 37\N,0.173654,1.758943,-0.144286\O,-1.758233,-1.282971,-0.742079\H,0.0
 50109,0.366136,-1.669549\H,0.854606,-1.547323,-0.399183\H,-2.90979,-0.
 057734,0.787298\H,-0.455006,2.381115,-0.636018\H,-0.032228,1.857361,0.
 841913\H,1.451195,0.409891,1.876513\H,0.203705,-0.845376,1.91808\H,1.9
 05982,-1.287391,1.818568\H,2.716265,0.875135,-0.368973\H,3.243945,-0.8
 13424,-0.290625\H,2.437115,-0.203744,-1.73816\\Version=ES64L-G16RevA.0
 3\State=1-A\HF=-402.5693911\RMSD=5.036e-09\RMSF=3.613e-06\ZeroPoint=0.
 1643012\Thermal=0.1738437\Dipole=-0.2151793,0.4456332,0.4105802\Dipole
 Deriv=-0.0119189,-0.0412928,0.0236683,0.0364957,0.0846448,0.0087494,0.
 003443,0.0203926,0.0682218,0.1805674,-0.0127442,-0.0139547,-0.1409625,
 0.0335961,-0.0200527,0.0311854,-0.0024337,0.1581546,-0.0021233,-0.0161
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 7309,-0.1595385,0.0241554,-0.1087664,-0.6697103,-0.034629,0.0089589,-0
 .0546257,-0.2279928,-0.7333782,-0.3375385,-0.1009083,-0.1931893,-0.921
 6572,-0.3604083,0.0551708,-0.2437976,-0.5560754,0.0473379,-0.0249232,-
 0.0038643,-0.0247043,0.001151,0.006149,-0.0093071,-0.015899,-0.1000012
 ,0.0172639,-0.0371505,-0.0106001,-0.0286339,-0.0940189,-0.0350009,-0.0
 0612,-0.0358739,-0.0146924,0.2985863,-0.0557083,-0.0166851,-0.101609,0
 .2251699,-0.0091652,-0.0260651,-0.0275765,0.315777,0.1192222,0.163453,
 -0.0899902,0.062464,0.1627802,-0.0237329,-0.0586074,-0.0327855,0.14277
 28,0.2478833,0.0527209,0.0842335,0.0105487,0.1681636,0.0388626,0.04377
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 976584,-0.0952528,0.0014152,-0.0294632,0.018589,-0.102903,-0.0567095,0
 .1000535,-0.0510865,0.0518989,0.0120867,0.0712249,0.0101361,-0.0080519
 ,-0.0423098,0.1025641,-0.0743375,0.101507,-0.0237517,0.0593573,-0.0446
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 70107,-0.0283546,-0.0115572,-0.0610873,0.0370797,-0.1028281,0.0769969,
 -0.0245764,0.1107349,-0.021131,0.0450749,-0.0546306,0.0617219,0.037177
 8,0.0332141,-0.0136249,-0.0224483,-0.0121288,0.0637276,-0.0033917,0.03
 65705,-0.0003299,-0.174601\Polar=82.1626208,0.1974992,71.4152288,-2.30
 72927,1.729014,69.6613793\Quadrupole=1.5132044,-2.225679,0.7124746,-3.
 954364,-1.8728416,-1.9305477\PG=C01 [X(C5H11N1O2)]\NImag=0\\0.48570732
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 KNOWLEDGE IS CHIMERA - FOR BEYOND IT LIES OTHER KNOWLEDGE,
 AND THE INCOMPLETENESS OF WHAT IS KNOWN RENDERS THE KNOWING FALSE.
     -- THE THOMAS COVENANT CHRONICLES
 Job cpu time:       0 days  2 hours 50 minutes 52.0 seconds.
 Elapsed time:       0 days  0 hours 21 minutes 26.1 seconds.
 File lengths (MBytes):  RWF=    240 Int=      0 D2E=      0 Chk=      8 Scr=      2
 Normal termination of Gaussian 16 at Mon Aug 16 21:41:21 2021.
